SCHEMBL4815293

SCHEMBL4815293

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KDR P35968 4/20 0.36
CHEK1 O14757 2/20 0.36
KCNH2 Q12809 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
PDE1B Q01064 1/20 0.35
ACP1 P24666 2/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 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
SCHEMBL4820147 0.93 KDR (0.43) KDR
SCHEMBL4817411 0.92 SMN1; SMN2 (0.40) SMN1; SMN2TSHRNPC1TP53MAPK1
SCHEMBL4817239 0.89 SMN1; SMN2 (0.40) SMN1; SMN2TSHRNPC1TP53MAPK1
SCHEMBL4816278 0.85 KDR (0.43) KDR
SCHEMBL17004684 0.84 KDR (0.46) KDR
SCHEMBL4807369 0.82 CYP2C19 (0.33) SMN1; SMN2TSHRNPC1TP53MAPK1
SCHEMBL4817214 0.82 KDR (0.57) KDR
SCHEMBL4816418 0.81 KDR (0.43) KDRCHEK1KCNH2PDE1B
SCHEMBL4817105 0.76 KDR (0.45) KDR
SCHEMBL17004679 0.75 KDR (0.40) KDR

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 4830/4885TSHR 3172/4885NPC1 3037/4885

“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.