SCHEMBL4807404

SCHEMBL4807404

O=C(Oc1ccccc1)c1csc(C#CCOCC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NSD2 O96028 1/20 0.36
KDR P35968 7/20 0.35
CSF1R P07333 4/20 0.35
KIT P10721 4/20 0.35
FLT1 P17948 4/20 0.35
FLT3 P36888 4/20 0.35
LCK P06239 3/20 0.35
FYN P06241 3/20 0.35
LYN P07948 3/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
IKBKB O14920 1/20 0.35
RPS6KA5 O75582 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL4808629 0.83 KDR (0.42) NSD2KDRCSF1RKITFLT1
SCHEMBL4814267 0.81 KDR (0.41) NSD2KDRCSF1RKITFLT1
SCHEMBL4815255 0.67 NSD2 (0.51) NSD2KDRALDH1A1MAPTMEN1
SCHEMBL4814663 0.62 CA12 (0.48) NSD2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4811366 0.61 MAPT (0.46) NSD2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2035745 0.61 NSD2 (0.74) NSD2KDRALDH1A1MAPTMEN1
SCHEMBL18430409 0.61 ALOX5 (0.60) NSD2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8601309 0.61 PARP10 (0.51) ALDH1A1MAPTMEN1KMT2ANR1H4
SCHEMBL8601311 0.61 PARP10 (0.51) ALDH1A1MAPTMEN1KMT2ANR1H4
SCHEMBL13498605 0.60 CARM1 (0.50) MEN1KMT2APTGIRPTGDRMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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 (1 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 HTR2A 2592/4885HTR2C 1364/4885HTR2B 2737/4885

“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.