SCHEMBL3926786

SCHEMBL3926786

O=C(NC1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)n3cccc3n2)CC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CCNE1 P24864 9/20 0.38
CDK2 P24941 9/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MCHR1 Q99705 1/20 0.36
KDM5A P29375 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3926065 0.89 PIK3CB (0.36) CKS1BSKP1SKP2CCNE1CDK2
SCHEMBL3921414 0.87 CCNE1 (0.32) CCNE1CDK2MEN1KMT2APOLB
SCHEMBL3926820 0.85 KDM5B (0.40) CDK2ROCK2MCHR1POLBKDM4E
SCHEMBL3924852 0.84 SUV39H2 (0.37) CCNE1CDK2
SCHEMBL3923615 0.82 PAK1 (0.40)
SCHEMBL3923740 0.82 SMO (0.40) MCHR1
SCHEMBL916719 0.81 POLB (0.36) ROCK2ROCK1KMT2APOLB
SCHEMBL3928070 0.81 ROCK2 (0.37) ROCK2MEN1KMT2AMAPT
SCHEMBL3931418 0.80 SUV39H2 (0.34) CKS1BSKP1SKP2CCNE1CDK2
SCHEMBL3933854 0.80 DKK1 (0.43) CKS1BSKP1SKP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051980-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
EP-2051980-A1 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-29 EP disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (1 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-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 CKS1B 121/4885SKP1 322/4885SKP2 98/4885

“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.