SCHEMBL15655494

SCHEMBL15655494

CC(=O)Nc1[nH]nc(-c2cccc(F)c2)c1C#Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ ADORA2B P29275 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAP2K4 P45985 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15656023 0.89 GSK3A (0.46) GSK3AGSK3BADORA1ADORA3RAB9A
SCHEMBL15655811 0.78 ADORA3 (0.47) GSK3AGSK3BADORA2BADORA1ADORA3
SCHEMBL15656718 0.77 ADORA2A (0.47) ADORA2BADORA1ADORA2AMAPTMAP2K4
SCHEMBL15657196 0.76 GSK3A (0.42) GSK3AGSK3BADORA3RAB9ASMN1; SMN2
SCHEMBL15656110 0.75 GSK3A (0.39) GSK3AGSK3BADORA3RAB9ASMN1; SMN2
SCHEMBL13737429 0.70 KMT2A (0.44) ADORA3MAPTSMN1; SMN2LMNANPSR1
SCHEMBL2868379 0.68 TTK (0.47) GSK3AGSK3BADORA2BADORA1ADORA3
SCHEMBL2863255 0.68 TTK (0.47) GSK3AGSK3BADORA2BADORA1ADORA3
SCHEMBL2860783 0.68 MAP2K4 (0.52) GSK3AGSK3BADORA2BADORA1ADORA3
SCHEMBL8889925 0.68 MAP2K4 (0.45) ADORA2BADORA1ADORA3ADORA2ARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2911671-B1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE INC (US) 2018-06-27 — — EP disclosed
EP-2911671-B1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE INC (US) 2018-06-27 — — EP disclosed
US-9783545-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with usher syndrome USHER III INITIATIVE, INC. (US) 2017-10-10 — — US disclosed
US-9783545-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with usher syndrome USHER III INITIATIVE, INC. (US) 2017-10-10 — — US disclosed
US-9783545-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with usher syndrome USHER III INITIATIVE, INC. (US) 2017-10-10 — — US disclosed
US-20160272647-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME BIOFOCUS DPI LTD. (GB) 2016-09-22 — — US disclosed
US-20160272647-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME BIOFOCUS DPI LTD. (GB) 2016-09-22 — — US disclosed
US-20160272647-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME BIOFOCUS DPI LTD. (GB) 2016-09-22 — — US disclosed
US-9371332-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with Usher syndrome USHER III INITIATIVE, INC. (US) 2016-06-21 — — US disclosed
US-9371332-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with Usher syndrome USHER III INITIATIVE, INC. (US) 2016-06-21 — — US disclosed
US-20140121205-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE (US) 2014-05-01 — — US disclosed
US-20140121197-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE, INC. 2014-05-01 — — US disclosed
US-20140121205-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE (US) 2014-05-01 — — US disclosed
US-20140121205-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE (US) 2014-05-01 — — US disclosed
US-20140121197-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE, INC. 2014-05-01 — — US disclosed
US-20140121197-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE, INC. 2014-05-01 — — US disclosed
WO-2014066835-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE, INC. (US) 2014-05-01 — — WO disclosed
WO-2014066836-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE, INC. (US) 2014-05-01 — — WO disclosed
WO-2014066836-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE, INC. (US) 2014-05-01 — — WO disclosed
WO-2014066835-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE, INC. (US) 2014-05-01 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160272647-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME ALDH1A2, ALDH1A3, NR2E3 GSK3A 3852/4885GSK3B 3628/4885ADORA2B 1639/4885
US-20140121205-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME ALDH1A2, ALDH1A3, PSEN2 GSK3A 3723/4885GSK3B 3495/4885ADORA2B 1708/4885
US-20140121197-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME ALDH1A2, ALDH1A3, NR2E3 GSK3A 3852/4885GSK3B 3628/4885ADORA2B 1639/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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