SCHEMBL3923740

SCHEMBL3923740

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.40
SUV39H2 Q9H5I1 2/20 0.36
MCHR1 Q99705 2/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35

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 0.86 PIK3CB (0.36) SMOSUV39H2
SCHEMBL3923615 0.84 PAK1 (0.40)
SCHEMBL916719 0.83 POLB (0.36)
SCHEMBL3926820 0.82 KDM5B (0.40) MCHR1MAPK8MAPK9
SCHEMBL3921414 0.82 CCNE1 (0.32) SUV39H2
SCHEMBL3926786 0.82 CKS1B (0.39) MCHR1
SCHEMBL3932218 0.82 DKK1 (0.36) SUV39H2
SCHEMBL3933854 0.80 DKK1 (0.43)
SCHEMBL3924852 0.80 SUV39H2 (0.37) SMOSUV39H2
SCHEMBL3928070 0.79 ROCK2 (0.37)

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 3 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
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 SMO 3095/4885SUV39H2 3296/4885MCHR1 1844/4885

“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.