SCHEMBL3768199

SCHEMBL3768199

Clc1nc(Nc2cc(C3CC3)n[nH]2)c2cc(N3CCCCC3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PAK4 O96013 2/20 0.39
PAK1 Q13153 2/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
IP6K1 Q92551 1/20 0.36
FGFR2 P21802 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
SCHEMBL14437349 0.86 PAK4 (0.35) PAK4PAK1PDE3BPDE3AIP6K1
SCHEMBL1164979 0.82 PAK4 (0.46) PAK4PAK1
SCHEMBL3339748 0.82 NTRK1 (0.43) PAK4PAK1
SCHEMBL3767642 0.81 PAK4 (0.36) PAK4PAK1
SCHEMBL2207310 0.79 APP (0.46) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL3768328 0.79 HSD17B10 (0.38) PDE3BPDE3AIP6K1
SCHEMBL3547401 0.77 PDE5A (0.46) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL802262 0.77 PAK4 (0.56) KDM4EMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3763330 0.76 CLK4 (0.45) MEN1MAPK1KMT2APAK1
SCHEMBL3340680 0.75 NTRK1 (0.42) FGFR2

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 10 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-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
WO-2004037814-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-06 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 (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 KDM4E 1499/4885MEN1 1408/4885MAPT 810/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 KDM4E 1653/4885MEN1 1366/4885MAPT 873/4885

“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.