SCHEMBL3768085

SCHEMBL3768085

CSc1nc(Nc2ccc3c(=O)[nH][nH]c3c2)cc(Nc2cc(C3CC3)n[nH]2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
VRK1 Q99986 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
DAO P14920 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL3765122 0.85 MKNK1 (0.35) VRK1CYP1A2DAOAPP
SCHEMBL3766099 0.83 IGF1R (0.43)
SCHEMBL3763551 0.81 APP (0.34) VRK1DAOAPP
SCHEMBL3767838 0.80 VRK1 (0.39) VRK1DAO
SCHEMBL14423686 0.79 MEN1 (0.34) MEN1GAAKMT2ASMN1; SMN2AURKA
SCHEMBL3763605 0.79 SYK (0.40) AURKAAURKBMAPTVRK1
SCHEMBL6823159 0.79 MEN1 (0.34) MEN1GAAKMT2ASMN1; SMN2AURKA
SCHEMBL3763985 0.79 DAO (0.36) MEN1KMT2ASMN1; SMN2MAPTVRK1
SCHEMBL13055842 0.79 VRK1 (0.39) AURKAAURKBVRK1CYP1A2DAO
SCHEMBL3763574 0.78 VRK1 (0.38) GAAVRK1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-20040167121-A1 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 US 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 (2 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-20040167121-A1 Indazolinone compositions useful as kinase inhibitors LCK, CDK2, CILK1 MEN1 1408/4885GAA 2695/4885KMT2A 740/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 MEN1 1366/4885GAA 2734/4885KMT2A 762/4885

“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.