SCHEMBL1074861

SCHEMBL1074861

Cc1cccc(-n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GABRA1 P14867 2/20 0.44
▸ GABRG2 P18507 2/20 0.44
▸ GABRB3 P28472 2/20 0.44
▸ GABRA5 P31644 2/20 0.44
▸ GABRA3 P34903 2/20 0.44
▸ GABRA2 P47869 2/20 0.44
▸ GABRA6 Q16445 2/20 0.44
▸ PTGES O14684 1/20 0.43
▸ AURKA O14965 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL18998180 0.87 GABRA1 (0.54) KDM4EALDH1A1L3MBTL1GABRA1GABRG2
SCHEMBL1074997 0.87 MAT2A (0.45) KDM4EALDH1A1POLBL3MBTL1GABRA1
SCHEMBL31439285 0.84 MTOR (0.50) KDM4EALDH1A1GABRA1GABRG2GABRB3
SCHEMBL16719262 0.84 MTOR (0.50) KDM4EALDH1A1GABRA1GABRG2GABRB3
SCHEMBL5653378 0.81 PIK3CA (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17272559 0.80 AURKA (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20390762 0.80 PIK3CA (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31439289 0.80 PIK3CA (0.47) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL31439381 0.80 PIK3CA (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31439349 0.79 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2337/4885ALDH1A1 3946/4885POLB 2510/4885

“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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