SCHEMBL288425

SCHEMBL288425

COc1ccc2c(S(C)(=O)=O)cc(-c3ncc(NC(C)C)s3)nc2c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KRAS P01116 1/20 0.31
SOS1 Q07889 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CDK1 P06493 3/20 0.30
CDK2 P24941 3/20 0.30
KDR P35968 3/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
PTK2 Q05397 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
SCHEMBL18900876 0.72 PLAU (0.40) CYP19A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL15433747 0.71 CYP19A1 (0.36) SYKLMNACYP19A1CYP11B1CYP11B2
SCHEMBL15433735 0.70 BRD4 (0.43) KDR
SCHEMBL7906969 0.69 KDM4E (0.42) LMNAGAARXFP1POLBALDH1A1
SCHEMBL9890977 0.65 TYR (0.39) LMNAGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL15578481 0.64 TYR (0.42) LMNAGAARXFP1ALDH1A1HSD17B10
SCHEMBL7906417 0.64 KCNQ1 (0.37) LMNAGAAPOLBALDH1A1KDM4E
SCHEMBL12732039 0.63 TYR (0.38) LMNAGAARXFP1ALDH1A1HSD17B10
SCHEMBL7909715 0.62 HTR6 (0.39) LMNAGAARXFP1ALDH1A1CYP19A1
SCHEMBL12863750 0.62 TYR (0.38) LMNAGAARXFP1POLBALDH1A1

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
EP-2427434-B1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INT (DE) 2017-05-31 EP disclosed
US-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
EP-2427434-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES Boehringer Ingelheim International GmbH (DE) 2012-03-14 EP disclosed
WO-2010129451-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 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 (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 SYK 3994/4885TSHR 1906/4885LMNA 1366/4885

“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.