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SCHEMBL3082391

SCHEMBL3082391

Cc1nn(Cc2cccs2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NSD2 O96028 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ NR3C1 P04150 2/20 0.35
▸ ATM Q13315 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL13309136 0.89 L3MBTL1 (0.45) ARL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL3070089 0.87 AR (0.41) ARL3MBTL1NSD2ALDH1A1HTT
SCHEMBL3063738 0.84 AR (0.45) ARNSD2ALDH1A1KMT2ACYP11B2
SCHEMBL3086661 0.83 HPGD (0.45) ARALDH1A1HTTMEN1LMNA
SCHEMBL3081229 0.83 AR (0.50) ARNSD2ALDH1A1NPC1LMNA
SCHEMBL3076218 0.82 AR (0.49) ARNSD2CYP11B2
SCHEMBL3086097 0.82 AR (0.45) ARNSD2ALDH1A1MEN1LMNA
SCHEMBL3074241 0.82 RAB9A (0.40) ARNSD2ALDH1A1HTTSMN1; SMN2
SCHEMBL3083288 0.82 AR (0.47) ARL3MBTL1NSD2ALDH1A1SMN1; SMN2
SCHEMBL3077479 0.82 AR (0.43) ARNSD2CYP11B2EGLN2

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
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
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 1/4885L3MBTL1 4174/4885NSD2 336/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885L3MBTL1 4199/4885NSD2 381/4885

“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.