SCHEMBL16676499

SCHEMBL16676499

CCCSc1ccc(Cl)cc1NNC(=O)c1cc(C)cc(Br)c1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 8/20 0.38
▸ EGFR P00533 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ DDR1 Q08345 3/20 0.34
▸ F10 P00742 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32

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
SCHEMBL16529560 0.93 DDR1 (0.39) GAAEGFRKMT2ADDR1F10
SCHEMBL16676266 0.86 GAA (0.43) GAAEGFRKMT2AF10ALDH1A1
SCHEMBL16676307 0.82 L3MBTL1 (0.44) GAAKMT2AF10TP53ALDH1A1
SCHEMBL16676536 0.80 DDR1 (0.38) GAAEGFRKMT2ADDR1TP53
SCHEMBL16676293 0.79 DDR1 (0.38) KMT2ADDR1
SCHEMBL16676508 0.78 GAA (0.37) GAAEGFRKMT2ADDR1F10
SCHEMBL16676481 0.77 EGFR (0.41) GAAEGFRKMT2ADDR1ALDH1A1
SCHEMBL16676267 0.77 EGFR (0.41) GAAEGFRKMT2ADDR1ALDH1A1
SCHEMBL16529626 0.74 DDR1 (0.54) DDR1ALDH1A1LMNA
SCHEMBL28072983 0.74 ALDH1A1 (0.43) GAAKMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 — — US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 — — US disclosed
EP-3061749-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-08-31 — — EP disclosed
EP-3061749-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-08-31 — — EP disclosed
WO-2015060373-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE 中外製薬株式会社 2015-04-30 — — 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 (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-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE NQO2, SDHA, CYP3A5 GAA 1500/4885EGFR 4152/4885KMT2A 2733/4885
US-10005739-B2 Quinazolinone and isoquinolinone derivative NQO2, SDHA, CYP3A5 GAA 1500/4885EGFR 4152/4885KMT2A 2733/4885

“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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