SCHEMBL3924852

SCHEMBL3924852

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 3/20 0.37
TNKS O95271 2/20 0.35
SMYD3 Q9H7B4 8/20 0.33
SMO Q99835 1/20 0.32
BACE1 P56817 1/20 0.32
PIK3CB P42338 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
JAK2 O60674 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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) SUV39H2SMOPIK3CBCCNE1CDK2
SCHEMBL3926820 0.84 KDM5B (0.40) CDK2
SCHEMBL3921414 0.84 CCNE1 (0.32) SUV39H2CCNE1CDK2
SCHEMBL3926786 0.84 CKS1B (0.39) CCNE1CDK2
SCHEMBL3932218 0.82 DKK1 (0.36) SUV39H2PIK3CBCCNE1CDK2
SCHEMBL3923615 0.81 PAK1 (0.40)
SCHEMBL3931683 0.81 JAK2 (0.48) JAK2CCNE1CDK2
SCHEMBL3923740 0.80 SMO (0.40) SUV39H2SMO
SCHEMBL3933854 0.79 DKK1 (0.43)
SCHEMBL916719 0.79 POLB (0.36) JAK2

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 SUV39H2 3296/4885TNKS 259/4885SMYD3 2977/4885

“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.