SCHEMBL4050177

SCHEMBL4050177

Cc1c(O)cn2nc[nH]c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
BRD4 O60885 3/20 0.33
ROCK1 Q13464 1/20 0.33
KDR P35968 1/20 0.33
DAO P14920 1/20 0.32
MAP2K1 Q02750 1/20 0.30
PNP P00491 1/20 0.30
BCL2 P10415 1/20 0.30
MCL1 Q07820 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PDPK1 O15530 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL13189585 0.82 NR1H2 (0.45) NR1H2BRD4ROCK1KDRALDH1A1
SCHEMBL12728711 0.80 NR1H2 (0.47) NR1H2BRD4ROCK1PNP
SCHEMBL12728715 0.79 NR1H2 (0.52) NR1H2BRD4ROCK1KDRPARP1
SCHEMBL12152965 0.79 NR1H2 (0.43) NR1H2ROCK1KDR
SCHEMBL2447815 0.79 NR1H2 (0.52) NR1H2BRD4ROCK1KDRMAP2K1
SCHEMBL12330551 0.78 NR1H2 (0.48) NR1H2BRD4ROCK1
SCHEMBL4049732 0.78 NR1H2 (0.42) NR1H2BRD4ROCK1PARP1
SCHEMBL12728712 0.77 NR1H2 (0.41) NR1H2BRD4ROCK1PARP1
SCHEMBL14017246 0.76 NR1H2 (0.43) NR1H2BRD4
SCHEMBL2446434 0.75 NR1H2 (0.55) NR1H2ROCK1KDRPARP1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-05-19 US disclosed
US-20190119217-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-04-25 US disclosed
EP-3293177-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-14 EP disclosed
EP-2010538-B1 PROCESS FOR THE PREPARATION OF Ý(1R), 2S¨-2-AMINOPROPIONIC ACID 2-Ý4-(4-FLUORO-2-METHYL-1H-INDOL-5-YLOXY)-5-METHYLPYRROLOÝ2,1-f¨Ý1,2,4¨TRIAZIN-6-YLOXY¨-1-METHYLETHYL ESTER BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7671199-B2 Process for the preparation of [(1R), 2S]-2-aminopropionic acid 2-[4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2, 1-F][1,2,4]triazin-6-yloxy]-1-methylethyl ester BRITSOL-MYERS SQUIBB COMPANY (US) 2010-03-02 US disclosed
US-7671199-B2 Process for the preparation of [(1R), 2S]-2-aminopropionic acid 2-[4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2, 1-F][1,2,4]triazin-6-yloxy]-1-methylethyl ester BRITSOL-MYERS SQUIBB COMPANY (US) 2010-03-02 US disclosed
EP-1960403-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-05-27 EP disclosed
EP-1960403-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-05-27 EP disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-20070123534-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-31 US disclosed
US-20070123534-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-31 US disclosed
US-20070123534-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-31 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 US disclosed
US-20050288289-A1 Processes and intermediates useful for preparing fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (7 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 NR1H2 3047/4885BRD4 586/4885ROCK1 385/4885
US-20190119217-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ABL1, LCK, ERBB2 NR1H2 3656/4885BRD4 1722/4885ROCK1 316/4885
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same ABL1, LCK, ERBB2 NR1H2 3656/4885BRD4 1722/4885ROCK1 316/4885
US-20050288289-A1 Processes and intermediates useful for preparing fused heterocyclic kinase inhibitors MAP3K15, MAP4K2, MAP3K20 NR1H2 4331/4885BRD4 801/4885ROCK1 502/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 NR1H2 3177/4885BRD4 513/4885ROCK1 469/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 NR1H2 3047/4885BRD4 586/4885ROCK1 385/4885
US-20070123534-A1 Pyrrolotriazine kinase inhibitors MAP3K15, MAP3K5, STK25 NR1H2 3464/4885BRD4 508/4885ROCK1 495/4885

“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.