SCHEMBL16676258

SCHEMBL16676258

O=c1[nH]ccc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PARP1 P09874 1/20 0.44
CES1 P23141 1/20 0.42
ROCK2 O75116 2/20 0.41
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ROCK1 Q13464 7/20 0.40
PRKACA P17612 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40

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
SCHEMBL1536398 0.87 ROCK1 (0.52) KDM4ECRHBPCRHR2PARP1CES1
SCHEMBL31719901 0.80 CYP17A1 (0.43) KDM4EPARP1ROCK2CHEK1ROCK1
SCHEMBL1036102 0.78 MEN1 (0.58) KDM4EPARP1ROCK2CHEK1ROCK1
SCHEMBL31308939 0.78 MEN1 (0.58) KDM4EPARP1ROCK2CHEK1ROCK1
SCHEMBL30278196 0.76 MEN1 (0.59) KDM4ECRHBPCRHR2KIF11GPR3
SCHEMBL981786 0.76 MEN1 (0.59) KDM4ECRHBPCRHR2KIF11GPR3
SCHEMBL1037286 0.75 PARP1 (0.42) PARP1ROCK2CHEK1ROCK1PRKACA
SCHEMBL793511 0.75 HSD17B10 (0.51) KDM4EPARP1ROCK2CHEK1KIF11
SCHEMBL2208967 0.74 KDM4E (0.64) KDM4ECRHBPCRHR2CES1KIF11
SCHEMBL25243024 0.74 PARP1 (0.53) PARP1ROCK2CHEK1PIM1PIM2

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 9 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-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
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 KDM4E 3138/4885CRHBP 4313/4885CRHR2 4191/4885
US-10005739-B2 Quinazolinone and isoquinolinone derivative NQO2, SDHA, CYP3A5 KDM4E 3138/4885CRHBP 4313/4885CRHR2 4191/4885

“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.