Sugi Predict

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SCHEMBL3086178

SCHEMBL3086178

CNC(=O)c1ccc(Cn2nc(C)c(-c3ccc(C#N)c(OC)c3)c2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ F11 P03951 5/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL3063692 0.91 KDM4E (0.45) ARTP53MAPTKDM4EF11
SCHEMBL3063780 0.90 KDM4E (0.46) TP53MAPTKDM4EF11CACNA1H
SCHEMBL3077528 0.89 AR (0.47) ARSMN1; SMN2
SCHEMBL3081391 0.86 AR (0.48) ARADORA1NSD2
SCHEMBL3083296 0.83 KDM4E (0.44) ARTP53MAPTKDM4ECACNA1H
SCHEMBL3076104 0.82 AR (0.42) ARKDM4EMEN1KMT2AUSP2
SCHEMBL3063710 0.82 AR (0.46) ARTP53MAPTKDM4EF11
SCHEMBL3083426 0.81 AR (0.41) ARMEN1KMT2AUSP2SMN1; SMN2
SCHEMBL3077471 0.80 AR (0.41) ARTP53SMN1; SMN2PSEN1PSEN2
SCHEMBL3070014 0.79 AR (0.45) ARNSD2

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 1/4885TP53 1773/4885MAPT 4236/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885TP53 1799/4885MAPT 4248/4885

“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.