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Sugi Predict / Compounds / SCHEMBL3083455

SCHEMBL3083455

SCHEMBL3083455

CNC(=O)c1cc(Cn2nc(C)c(-c3ccc(C#N)c(Cl)c3)c2C)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.48
▸ GAA P10253 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MTOR P42345 2/20 0.39
▸ MAP3K14 Q99558 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ SLC2A2 P11168 1/20 0.38
▸ SLC2A3 P11169 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL3082378 0.92 AR (0.46) ARGAAHTTNPSR1SLC2A1
SCHEMBL3081294 0.90 AR (0.46) ARSLC2A1SLC2A2SLC2A3
SCHEMBL3077255 0.90 AR (0.43) ARGAAHTTNPSR1MAP3K14
SCHEMBL3088555 0.90 AR (0.59) AR
SCHEMBL3070043 0.90 AR (0.44) ARGAAHTTNPSR1MAP3K14
SCHEMBL3074286 0.89 AR (0.43) ARGAAHTTNPSR1MAP3K14
SCHEMBL3080777 0.89 CASP1 (0.47) ARMAP3K14SLC2A1SLC2A3
SCHEMBL3081272 0.88 AR (0.44) ARLMNANPC1POLB
SCHEMBL3069861 0.86 AR (0.49) ARGAAHTTNPSR1SMN1; SMN2
SCHEMBL3077528 0.86 AR (0.47) ARSMN1; SMN2POLB

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 AR 1/4885GAA 4868/4885HTT 4633/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885GAA 4868/4885HTT 4624/4885

“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.