SCHEMBL14212751

SCHEMBL14212751

COc1cc(C)cc(-c2ccc(C#N)c3nccnc23)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.39
LRRK2 Q5S007 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ROS1 P08922 1/20 0.37
FLT3 P36888 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PGR P06401 3/20 0.35
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1126023 0.92 CYP11B1 (0.41) ARLRRK2CYP11B1CYP11B2KDM4E
SCHEMBL14212768 0.86 CYP11B1 (0.36) ARCYP11B1CYP11B2ROS1FLT3
SCHEMBL14212759 0.85 CYP11B1 (0.38) ARLRRK2CYP11B1CYP11B2ROS1
SCHEMBL14212765 0.85 CYP11B1 (0.38) ARCYP11B1CYP11B2ROS1FLT3
SCHEMBL14212770 0.83 CYP11B1 (0.36) CYP11B1CYP11B2ROS1FLT3SLC22A12
SCHEMBL14212750 0.80 ROS1 (0.39) ROS1FLT3
SCHEMBL1126518 0.78 CYP11B1 (0.40) CYP11B1CYP11B2KDM4EALDH1A1MEN1
SCHEMBL1126354 0.78 CYP11B1 (0.40) CYP11B1CYP11B2KDM4EALDH1A1MEN1
SCHEMBL15832019 0.77 AR (0.44) ARCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL1126494 0.77 CYP11B2 (0.39) CYP11B1CYP11B2KDM4EALDH1A1MEN1

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
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US disclosed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 US disclosed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 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-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK AR 4353/4885LRRK2 949/4885CYP11B1 1166/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK AR 4353/4885LRRK2 949/4885CYP11B1 1166/4885

“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.