SCHEMBL3080708

SCHEMBL3080708

Cc1nn(Cc2ccc(C(=O)NC3CCC3)nc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PRKAA2 P54646 7/20 0.41
CNR2 P34972 3/20 0.41
AR P10275 5/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP3K14 Q99558 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
SCHEMBL3069866 0.97 MEN1 (0.42) MEN1KMT2APRKAA2CNR2AR
SCHEMBL3083942 0.90 MEN1 (0.51) MEN1KMT2ACNR2ARGAA
SCHEMBL3083426 0.87 AR (0.41) MEN1KMT2AARSMN1; SMN2
SCHEMBL3077528 0.87 AR (0.47) ARSMN1; SMN2
SCHEMBL3085359 0.87 MEN1 (0.48) MEN1KMT2ACNR2AR
SCHEMBL3073282 0.86 AR (0.44) CNR2ARSMN1; SMN2
SCHEMBL3077471 0.86 AR (0.41) ARSMN1; SMN2
SCHEMBL3070014 0.85 AR (0.45) ARMAP3K14
SCHEMBL3076198 0.85 AR (0.43) AR
SCHEMBL3076104 0.85 AR (0.42) MEN1KMT2AARALDH1A1SMN1; SMN2

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 MEN1 2054/4885KMT2A 1764/4885PRKAA2 3084/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 MEN1 2116/4885KMT2A 1801/4885PRKAA2 3085/4885

“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.