SCHEMBL3933854

SCHEMBL3933854

CC(=O)NCC1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)n3cccc3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 1/20 0.43
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHIT1 Q13231 1/20 0.37
PDPK1 O15530 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
MAP2K1 Q02750 1/20 0.35
GAA P10253 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 0.87 PIK3CB (0.36) CKS1BSKP1SKP2KDM4EALDH1A1
SCHEMBL3932218 0.85 DKK1 (0.36) DKK1GSK3B
SCHEMBL3926820 0.84 KDM5B (0.40) KDM4EGSK3B
SCHEMBL3923615 0.82 PAK1 (0.40) DKK1
SCHEMBL916719 0.81 POLB (0.36) ALDH1A1IGF1R
SCHEMBL3923740 0.80 SMO (0.40)
SCHEMBL3926786 0.80 CKS1B (0.39) CKS1BSKP1SKP2KDM4E
SCHEMBL3921414 0.80 CCNE1 (0.32) KDM4E
SCHEMBL13841062 0.79 JAK2 (0.47) IGF1R
SCHEMBL3924852 0.79 SUV39H2 (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 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 DKK1 1318/4885CKS1B 121/4885SKP1 322/4885

“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.