SCHEMBL13737397

SCHEMBL13737397

CCOC(=O)Cn1nc(-c2ccc(F)cc2)cc1N

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.78
TSHR P16473 3/20 0.78
MAPK1 P28482 1/20 0.78
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 3/20 0.61
LMNA P02545 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.54
PTGS2 P35354 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL15656249 0.87 ALDH1A1 (0.77) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL5960395 0.86 ALDH1A1 (0.76) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL30029625 0.84 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL27139267 0.81 HDAC3 (0.53) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL13739394 0.81 MEN1 (0.58) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL27150201 0.77 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL13401180 0.77 GAA (0.59) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL2082790 0.77 NPC1 (0.61) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL15656246 0.77 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL21847655 0.76 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326274-B1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-01-14 EP disclosed
US-20240208994-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
EP-4326274-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2024-02-28 EP disclosed
WO-2022225828-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-10-27 WO disclosed
US-10307422-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with usher syndrome USHER III INITIATIVE, INC. (US) 2019-06-04 US disclosed
US-10307422-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with usher syndrome USHER III INITIATIVE, INC. (US) 2019-06-04 US disclosed
US-20180207159-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME BIOFOCUS DPI LTD. (GB) 2018-07-26 US disclosed
US-20180207159-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME BIOFOCUS DPI LTD. (GB) 2018-07-26 US disclosed
US-20180207159-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME BIOFOCUS DPI LTD. (GB) 2018-07-26 US disclosed
US-9925187-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with usher syndrome USHER III INITIATIVE, INC. (US) 2018-03-27 US disclosed
US-20150266812-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE, INC. 2015-09-24 US disclosed
US-9079909-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with Usher Syndrome USHER III INITIATIVE, INC. (US) 2015-07-14 US disclosed
US-9079909-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with Usher Syndrome USHER III INITIATIVE, INC. (US) 2015-07-14 US disclosed
US-9079909-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with Usher Syndrome USHER III INITIATIVE, INC. (US) 2015-07-14 US disclosed
EP-2701510-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME Usher III Initiative (US) 2014-03-05 EP disclosed
US-20130252936-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE (US) 2013-09-26 US disclosed
US-20130252936-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE (US) 2013-09-26 US disclosed
US-20130252936-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE (US) 2013-09-26 US disclosed
WO-2012148994-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE (US) 2012-11-01 WO disclosed
WO-2012148994-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE (US) 2012-11-01 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 (5 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-20150266812-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME ALDH1A2, ALDH1A3, PDE6B ALDH1A1 194/4885TSHR 2656/4885MAPK1 2295/4885
US-20240208994-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 ALDH1A1 1547/4885TSHR 3639/4885MAPK1 183/4885
US-20180207159-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME ALDH1A2, ALDH1A3, NR2E3 ALDH1A1 160/4885TSHR 2773/4885MAPK1 2340/4885
US-10307422-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with usher syndrome ALDH1A2, ALDH1A3, NR2E3 ALDH1A1 160/4885TSHR 2773/4885MAPK1 2340/4885
US-20130252936-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME ALDH1A2, ALDH1A3, NR2E3 ALDH1A1 160/4885TSHR 2773/4885MAPK1 2340/4885

“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.