SCHEMBL801487

SCHEMBL801487

Cc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2Cl)nc1N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HRH4 Q9H3N8 1/20 0.44
CYP1A2 P05177 7/20 0.43
CYP3A4 P08684 7/20 0.43
CYP2D6 P10635 6/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCB1 P08183 1/20 0.43
CNR2 P34972 3/20 0.42
MAPK10 P53779 1/20 0.40
EGFR P00533 1/20 0.40
TSHR P16473 3/20 0.39
GRM4 Q14833 1/20 0.39
TRPA1 O75762 1/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 2/20 0.39

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
SCHEMBL801519 0.90 CYP1A2 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL801489 0.90 CYP1A2 (0.55) MEN1KMT2AHRH4CYP1A2CYP3A4
SCHEMBL801479 0.90 CYP1A2 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL12619104 0.86 CYP1A2 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL802108 0.82 FLT3 (0.46) MEN1KMT2AMAPK10
SCHEMBL786350 0.81 TRPA1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL13107247 0.79 TRPA1 (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL802106 0.79 GRM4 (0.49) CYP1A2CYP3A4CYP2D6HSD17B10ALDH1A1
SCHEMBL15427399 0.77 TRPA1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL801559 0.76 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A MEN1 2949/4885KMT2A 1376/4885HRH4 1309/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MEN1 1413/4885KMT2A 1457/4885HRH4 1913/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A MEN1 2949/4885KMT2A 1376/4885HRH4 1309/4885

“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.