SCHEMBL10046375

SCHEMBL10046375

COc1ccc2c(S)cc(-c3cnn(C)c3)nc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
MAPT P10636 2/20 0.41
FGFR3 P22607 7/20 0.41
FGFR1 P11362 4/20 0.41
FGFR2 P21802 4/20 0.41
FYN P06241 2/20 0.40
CSF1R P07333 2/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
BRD4 O60885 2/20 0.38
TTK P33981 1/20 0.37
KDR P35968 3/20 0.37
AXL P30530 1/20 0.37
FGFR4 P22455 1/20 0.36

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
SCHEMBL298911 0.86 PLAU (0.44) PLAUMAPTFGFR3FGFR1FGFR2
SCHEMBL15433735 0.82 BRD4 (0.43) PLAUMAPTFGFR3FGFR1FGFR2
SCHEMBL9892705 0.74 CYP19A1 (0.42) MAPTPIK3CDPIK3CAPIK3CGCYP19A1
SCHEMBL13929793 0.73 PLAU (0.45) PLAUMAPTFGFR3FGFR1FGFR2
SCHEMBL13929789 0.73 PLAU (0.45) PLAUMAPTFGFR3FGFR1FGFR2
SCHEMBL10046379 0.72 TRIM33 (0.39) MAPTFGFR1CYP19A1CYP11B1CYP11B2
SCHEMBL9892707 0.70 CYP19A1 (0.39) MAPTCYP19A1CYP11B1CYP11B2
SCHEMBL26833391 0.70 ERN1 (0.47) PLAUFYNCSF1RPIK3CDPIK3CA
SCHEMBL10015201 0.70 FGFR3 (0.41) MAPTFGFR3CSF1RCYP11B1CYP11B2
SCHEMBL24732301 0.69 LOXL2 (0.49) PLAUFYNPIK3CDPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES HCCS, CYP3A7, ABL1 PLAU 4480/4885MAPT 4445/4885FGFR3 4744/4885

“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.