SCHEMBL12884100

SCHEMBL12884100

COC(=O)[C@H]1CNCC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.68
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
GAA P10253 1/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
LMNA P02545 1/20 0.46
CASP3 P42574 2/20 0.45

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
SCHEMBL12895563 1.00 CPB1 (0.68) CPB1CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL709146 1.00 CPB1 (0.68) CPB1CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL12884024 0.91 CPB1 (0.56) CPB1ALDH1A1TSHRGAACTSB
SCHEMBL619990 0.91 CPB1 (0.56) CPB1ALDH1A1TSHRGAACTSB
SCHEMBL620155 0.91 CPB1 (0.56) CPB1ALDH1A1TSHRGAACTSB
SCHEMBL2699266 0.90 CPB1 (0.57) CPB1ALDH1A1TSHRCYP1A2GAA
SCHEMBL13404518 0.89 CPB1 (0.57) CPB1ALDH1A1TSHRGAACTSB
SCHEMBL23089809 0.85 CPB1 (0.90) CPB1CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL2497897 0.85 CPB1 (0.90) CPB1CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL12193443 0.85 CPB1 (0.90) CPB1CYP2C9CYP2C19ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 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 (2 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 CPB1 2165/4885CYP2C9 3796/4885CYP2C19 1878/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 CPB1 2165/4885CYP2C9 3796/4885CYP2C19 1878/4885

“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.