SCHEMBL801905

SCHEMBL801905

CC(=O)N1CCC(c2cc(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.46
MAP3K12 Q12852 7/20 0.45
GRM4 Q14833 2/20 0.44
MAPK8 P45983 3/20 0.42
MAPK10 P53779 3/20 0.42
EGFR P00533 1/20 0.41
CYP1A2 P05177 1/20 0.40
DLK1 P80370 1/20 0.40
LCK P06239 1/20 0.40
ITK Q08881 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL958497 0.88 CYP1A2 (0.43) RBP4MAPK8MAPK10CYP1A2LCK
SCHEMBL10268902 0.87 GRM4 (0.41) RBP4GRM4MAPK8MAPK10EGFR
SCHEMBL801904 0.86 USP30 (0.43) RBP4MAPK8MAPK10
SCHEMBL786010 0.85 USP1 (0.49) RBP4MAPK8MAPK10CYP1A2LCK
SCHEMBL802082 0.85 EGFR (0.54) GRM4MAPK8MAPK10EGFR
SCHEMBL801495 0.85 CYP1A2 (0.48) MAP3K12MAPK8CYP1A2LCKITK
SCHEMBL13055060 0.84 MAP3K12 (0.41) RBP4MAP3K12GRM4MAPK8MAPK10
SCHEMBL801845 0.84 MAP3K12 (0.48) RBP4MAP3K12DLK1
SCHEMBL802072 0.81 CYP1A2 (0.39) RBP4GRM4MAPK8MAPK10EGFR
SCHEMBL801908 0.80 USP1 (0.41) MAPK8MAPK10CYP1A2LCKITK

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-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-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 RBP4 3906/4885MAP3K12 192/4885GRM4 4253/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 RBP4 4258/4885MAP3K12 327/4885GRM4 3726/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A RBP4 3906/4885MAP3K12 192/4885GRM4 4253/4885

“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.