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Sugi Predict / Compounds / SCHEMBL3070098

SCHEMBL3070098

SCHEMBL3070098

CNC(=O)c1ccc(Cn2nc(C)c(-c3ccc(C#N)c(Cl)c3)c2C)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ AR P10275 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL3080587 0.90 HTT (0.47) MAPTLMNAARALDH1A1NPSR1
SCHEMBL3070141 0.89 ALDH1A1 (0.45) MAPTLMNAARALDH1A1NPSR1
SCHEMBL3088555 0.87 AR (0.59) ARKMT2AMEN1MAPK1
SCHEMBL3074071 0.86 ALDH1A1 (0.50) MAPTLMNAARALDH1A1NPSR1
SCHEMBL3083455 0.84 AR (0.48) LMNAARNPSR1USP2POLB
SCHEMBL3077528 0.84 AR (0.47) ARPOLBSMN1; SMN2
SCHEMBL3082378 0.82 AR (0.46) ARALDH1A1NPSR1KMT2AHTT
SCHEMBL3081294 0.82 AR (0.46) ARALDH1A1
SCHEMBL3069861 0.82 AR (0.49) MAPTLMNAARALDH1A1NPSR1
SCHEMBL3083949 0.81 AR (0.49) AR

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
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 — — CN 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
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 MAPT 4236/4885LMNA 4608/4885AR 1/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 MAPT 4248/4885LMNA 4607/4885AR 1/4885

“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.