SCHEMBL3763330

SCHEMBL3763330

Clc1nc(Nc2cc(C3CC3)n[nH]2)c2cc(-c3ccccc3Cl)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 8/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C19 P33261 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GABBR2 O75899 5/20 0.43
GABBR1 Q9UBS5 5/20 0.43
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
USP2 O75604 3/20 0.37
CYP3A4 P08684 3/20 0.37
MAPK1 P28482 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL13081841 0.90 GABBR2 (0.55) CLK4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL2207310 0.84 APP (0.46) MEN1KMT2AMAPK1PAK1SRC
SCHEMBL1164979 0.82 PAK4 (0.46) PAK1SRCCCNA2CDK2GSK3B
SCHEMBL3339748 0.82 NTRK1 (0.43) GABBR2GABBR1JAK2PAK1SRC
SCHEMBL3767642 0.81 PAK4 (0.36) GABBR2GABBR1PAK1SRCCCNA2
SCHEMBL3762734 0.80 ULK1 (0.38) CLK4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL3547401 0.79 PDE5A (0.46) MEN1KMT2AMAPK1
SCHEMBL13055817 0.77 GSK3A (0.39) CLK4CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL3768199 0.76 KDM4E (0.39) MEN1KMT2AMAPK1PAK1
SCHEMBL3340680 0.75 NTRK1 (0.42) CYP1A2CYP2D6CYP2C19GABBR2GABBR1

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 11 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-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 CLK4 374/4885CYP1A2 1654/4885CYP2D6 2477/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 CLK4 362/4885CYP1A2 1638/4885CYP2D6 2410/4885

“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.