SCHEMBL3073282

SCHEMBL3073282

CCCNC(=O)c1ccc(Cn2nc(C)c(-c3ccc(C#N)c(Cl)c3)c2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.44
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL3077471 0.93 AR (0.41) ARSMN1; SMN2TP53RECQL
SCHEMBL3083426 0.90 AR (0.41) ARSMN1; SMN2RECQL
SCHEMBL3076321 0.90 AR (0.52) ARLMNAALOX15MAPK1GCGR
SCHEMBL3077528 0.90 AR (0.47) ARSMN1; SMN2RECQL
SCHEMBL3069970 0.89 AR (0.51) ARSMN1; SMN2RECQL
SCHEMBL3070014 0.88 AR (0.45) AR
SCHEMBL3076198 0.88 AR (0.43) AR
SCHEMBL3069866 0.87 MEN1 (0.42) ARLMNASMN1; SMN2MAPTCNR2
SCHEMBL3076104 0.87 AR (0.42) ARSMN1; SMN2
SCHEMBL3080708 0.86 MEN1 (0.44) ARSMN1; SMN2CNR2

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 7 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
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 1/4885LMNA 4608/4885ALOX15 3978/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885LMNA 4607/4885ALOX15 3959/4885

“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.