SCHEMBL3926065

SCHEMBL3926065

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.36
SUV39H2 Q9H5I1 3/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCNE1 P24864 5/20 0.34
CDK2 P24941 5/20 0.34
TSHR P16473 2/20 0.34
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
LRRK2 Q5S007 1/20 0.34
USP2 O75604 1/20 0.34
SMO Q99835 1/20 0.34

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
SCHEMBL3931418 0.91 SUV39H2 (0.34) PIK3CBSUV39H2CKS1BSKP1SKP2
SCHEMBL3926820 0.89 KDM5B (0.40) KDM4EPOLBMAPTTDP1CDK2
SCHEMBL3921414 0.89 CCNE1 (0.32) SUV39H2KDM4EPOLBMAPTTDP1
SCHEMBL3926786 0.89 CKS1B (0.39) CKS1BSKP1SKP2KDM4EPOLB
SCHEMBL3933854 0.87 DKK1 (0.43) CKS1BSKP1SKP2KDM4EALDH1A1
SCHEMBL3924852 0.86 SUV39H2 (0.37) PIK3CBSUV39H2CCNE1CDK2SMO
SCHEMBL3923740 0.86 SMO (0.40) SUV39H2SMO
SCHEMBL3922266 0.85 ALDH1A1 (0.39) PIK3CBSUV39H2CKS1BSKP1SKP2
SCHEMBL3923615 0.84 PAK1 (0.40)
SCHEMBL3924580 0.83 LRRK2 (0.40) CKS1BSKP1SKP2KDM4EPOLB

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 PIK3CB 318/4885SUV39H2 3296/4885CKS1B 121/4885

“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.