Sugi Predict

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SCHEMBL3087435

SCHEMBL3087435

COc1cccc(Cn2nc(C)c(-c3ccc(C#N)c(Cl)c3)c2C)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.45
▸ P2RX7 Q99572 2/20 0.40
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ PGGT1B P53609 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ EGLN2 Q96KS0 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
SCHEMBL3075351 0.91 AR (0.47) ARMAPK1NPSR1GAAUSP2
SCHEMBL3089228 0.84 AR (0.44) ARMAPK1NPSR1GAAUSP2
SCHEMBL3082085 0.84 AR (0.48) ARMAPK1GAAMEN1KMT2A
SCHEMBL3077664 0.83 AR (0.45) ARFNTAFNTBPGGT1BNPSR1
SCHEMBL3081338 0.83 AR (0.43) ARMAPK1NPSR1GAAUSP2
SCHEMBL3083220 0.83 AR (0.42) ARMAPK1NPSR1GAAUSP2
SCHEMBL3069287 0.81 KDM4E (0.45) ARFNTAFNTBPGGT1BMAPK1
SCHEMBL13308529 0.81 AR (0.41) ARFNTAFNTBPGGT1BMAPK1
SCHEMBL3083850 0.81 AR (0.46) ARP2RX7NPSR1GAAKDM4E
SCHEMBL3086122 0.80 AR (0.46) ARP2RX7FNTAFNTBPGGT1B

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 8 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
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 1/4885P2RX7 1393/4885FNTA 4402/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885P2RX7 1270/4885FNTA 4428/4885

“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.