SCHEMBL1220980

SCHEMBL1220980

C=CCOC(=O)[C@@H]1CCNC[C@@H]1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CYP19A1 P11511 1/20 0.35
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL1220982 1.00 MAPT (0.38) MAPTPKMCYP19A1ERN1ALDH1A1
SCHEMBL1221344 0.85 MAPT (0.39) MAPTPKMPOLBTSHRMAPK1
SCHEMBL14964659 0.83 CHRNB2 (0.42) MAPTPKMCHRNB2CHRNB4CHRNA3
SCHEMBL29108682 0.82 ALDH1A1 (0.42) MAPTCYP19A1ALDH1A1POLBTSHR
SCHEMBL12884003 0.81 CPB1 (0.38) MAPTPKMCYP19A1ERN1ALDH1A1
SCHEMBL12895760 0.81 CPB1 (0.38) MAPTPKMCYP19A1ERN1ALDH1A1
SCHEMBL11401788 0.81 MAPT (0.37) MAPTPKMALDH1A1POLBTSHR
SCHEMBL27294855 0.78 CYP19A1 (0.35) MAPTCYP19A1ERN1ALDH1A1KDM4E
SCHEMBL2381816 0.75 TSHR (0.35) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL31153901 0.75 CHRNB2 (0.39) MAPTPKMTSHRCHRNB2CHRNB4

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 16 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-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
EP-1699797-B1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-09-23 EP disclosed
EP-2058314-A1 Pyrrolotriazine compounds as kinase inhibitors Bristol-Myers Squibb Company (US) 2009-05-13 EP disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
EP-1863792-B1 ATP COMPETITIVE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-01-21 EP disclosed
US-7358256-B2 ATP competitive kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-15 US disclosed
EP-1863792-A1 ATP COMPETITIVE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2007-12-12 EP disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-7141571-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 US disclosed
US-20060264438-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-23 US disclosed
WO-2006104971-A1 ATP COMPETITIVE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-05 WO disclosed
US-20060217369-A1 Antiproliferative agents; tyrosine kinase inhibitors; anticancer; diseases associated with signal transduction pathways operating through growth factor receptors; 4-amino-1-((4-(3-methoxyphenylamino) quinazolin-5-yl)methyl)-N-methylpiperidine-3-carboxamide BRISTOL-MYERS SQUIBB COMPANY 2006-09-28 US disclosed
EP-1699797-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-09-13 EP disclosed
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 US disclosed
WO-2005066176-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO 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 (5 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 MAPT 2432/4885PKM 1164/4885CYP19A1 1307/4885
US-20060217369-A1 Antiproliferative agents; tyrosine kinase inhibitors; anticancer; diseases associated with signal transduction pathways operating through growth factor receptors; 4-amino-1-((4-(3-methoxyphenylamino) quinazolin-5-yl)methyl)-N-methylpiperidine-3-carboxamide ERBB2, ERBB4, EGFR MAPT 3946/4885PKM 2061/4885CYP19A1 1917/4885
US-20060264438-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 MAPT 2432/4885PKM 1164/4885CYP19A1 1307/4885
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors ERBB2, ERBB4, ERBB3 MAPT 2432/4885PKM 1164/4885CYP19A1 1307/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 MAPT 2432/4885PKM 1164/4885CYP19A1 1307/4885

“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.