Sugi Predict

Sugi Predict / Compounds / SCHEMBL3077664

SCHEMBL3077664

SCHEMBL3077664

COc1ccc(Cn2nc(C)c(-c3ccc(C#N)c(Cl)c3)c2C)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.45
▸ KDM4E B2RXH2 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ APLNR P35414 1/20 0.36

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
SCHEMBL3089228 0.91 AR (0.44) ARKDM4EUSP2ALDH1A1LMNA
SCHEMBL3075351 0.88 AR (0.47) ARKDM4EUSP2ALDH1A1HSD17B10
SCHEMBL3087463 0.87 CYP1A2 (0.47) ARKDM4EUSP2ALDH1A1CYP1A2
SCHEMBL3081338 0.84 AR (0.43) ARKDM4EUSP2HSD17B10HPGD
SCHEMBL3083220 0.83 AR (0.42) ARKDM4EUSP2ALDH1A1NPSR1
SCHEMBL3087435 0.83 AR (0.45) ARKDM4EUSP2ALDH1A1HSD17B10
SCHEMBL3086122 0.83 AR (0.46) ARALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3069287 0.82 KDM4E (0.45) ARKDM4EUSP2ALDH1A1HSD17B10
SCHEMBL3085319 0.81 LMNA (0.47) ARKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL3075150 0.81 AR (0.47) ARKDM4EALDH1A1LMNAHPGD

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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 — — EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 AR 1/4885KDM4E 1414/4885USP2 4590/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885KDM4E 1440/4885USP2 4590/4885

“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.