SCHEMBL1025709

SCHEMBL1025709

CC(C)(C#N)c1ccc(Nc2c([N+](=O)[O-])cnc3ccc(Cl)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 7/20 0.48
▸ HTR1A P08908 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1G2 P78368 1/20 0.37

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
SCHEMBL1026484 0.89 MTOR (0.49) MTORHTR1AHTR2AHTR7HTR6
SCHEMBL994392 0.88 MTOR (0.48) MTORCSNK1DCSNK1G2
SCHEMBL12928937 0.88 MTOR (0.48) MTORCSNK1DCSNK1G2
SCHEMBL1557700 0.82 MTOR (0.53) MTOR
SCHEMBL1025189 0.82 MTOR (0.54) MTORHTR1AHTR2AHTR7HTR6
SCHEMBL15747832 0.82 MTOR (0.42) MTORMAPTSTK17ACSNK1DCSNK1G2
SCHEMBL31439343 0.82 MTOR (0.42) MTORMAPTSTK17ACSNK1DCSNK1G2
SCHEMBL12266652 0.82 MTOR (0.71) MTOR
SCHEMBL2253904 0.81 L3MBTL1 (0.54) HTR1AHTR2AHTR7HTR6
SCHEMBL9901397 0.77 MTOR (0.38) MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637670-B2 Imidazo [4,5-C]quinoline derivatives and their use in the treatment of tumors and/or inflammation Piramal Enterprises Limited (IN) 2014-01-28 — — US disclosed
EP-2448937-A1 IMIDAZO [4,5-C]QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TUMORS AND/OR INFLAMMATION Piramal Life Sciences Limited (IN) 2012-05-09 — — EP disclosed
US-20120108627-A1 IMIDAZO [4,5-C]QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TUMORS AND/OR INFLAMMATION Piramal Enterprises Limited (IN) 2012-05-03 — — US disclosed
WO-2011001212-A1 IMIDAZO [4,5-C]QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TUMORS AND/OR INFLAMMATION PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-01-06 — — 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-20120108627-A1 IMIDAZO [4,5-C]QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TUMORS AND/OR INFLAMMATION IL6, RPS6KA6, MTOR MTOR 3/4885HTR1A 4222/4885HTR2A 3766/4885

“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.

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