SCHEMBL16676293

SCHEMBL16676293

CCSc1ccc(C#N)cc1NNC(=O)c1cc(C)cc(Br)c1N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 3/20 0.38
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ MAP2K1 Q02750 4/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPK14 Q16539 1/20 0.30
▸ SIRT2 Q8IXJ6 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
SCHEMBL16529577 0.87 DDR1 (0.51) DDR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16529560 0.86 DDR1 (0.39) DDR1KMT2A
SCHEMBL16676511 0.85 DDR1 (0.39) DDR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16676298 0.80 KMT2A (0.37) DDR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16676499 0.79 GAA (0.38) DDR1KMT2A
SCHEMBL16676433 0.78 DDR1 (0.40) DDR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16676176 0.76 DDR1 (0.44) DDR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16676266 0.75 GAA (0.43) KMT2AMEN1
SCHEMBL16676174 0.74 DDR1 (0.42) DDR1MAP2K1
SCHEMBL16676536 0.73 DDR1 (0.38) DDR1KMT2AMEN1

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 DDR1 4404/4885KMT2A 2733/4885MEN1 2307/4885
US-10005739-B2 Quinazolinone and isoquinolinone derivative NQO2, SDHA, CYP3A5 DDR1 4404/4885KMT2A 2733/4885MEN1 2307/4885

“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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