SCHEMBL4817239

SCHEMBL4817239

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccc(C=O)s3)c3c2-c2ccc(CN4CCOCC4)cc2C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
PDE1B Q01064 3/20 0.38
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
CHEK1 O14757 2/20 0.36
KDR P35968 3/20 0.36
KCNH2 Q12809 1/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ACP1 P24666 1/20 0.33

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
SCHEMBL4816418 0.92 KDR (0.43) PDE1BCHEK1KDRKCNH2
SCHEMBL4817411 0.89 SMN1; SMN2 (0.40) SMN1; SMN2PDE1BTSHRNPC1TP53
SCHEMBL4815293 0.89 SMN1; SMN2 (0.40) SMN1; SMN2PDE1BTSHRNPC1TP53
SCHEMBL4889985 0.84 CYP11B1 (0.42) SMN1; SMN2TSHRTP53MAPK1KDR
SCHEMBL4816278 0.82 KDR (0.43) KDR
SCHEMBL4820147 0.82 KDR (0.43) KDR
SCHEMBL17004684 0.81 KDR (0.46) KDR
SCHEMBL4817214 0.80 KDR (0.57) KDR
SCHEMBL17004679 0.80 KDR (0.40) KDR
SCHEMBL4818041 0.73 CHEK1 (0.62) CHEK1KDRKCNH2

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 SMN1; SMN2 4830/4885PDE1B 1081/4885TSHR 3172/4885

“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.