SCHEMBL3082035

SCHEMBL3082035

Cc1nn(Cc2ccc(C(=O)NCc3cccnc3)cc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
LMNA P02545 7/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAMPT P43490 1/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 3/20 0.45
GFER P55789 1/20 0.45
MAPT P10636 1/20 0.44
AR P10275 1/20 0.44
MMP13 P45452 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL3075771 0.90 AR (0.46) MAPK14LMNAALDH1A1MAPK1HTT
SCHEMBL3080765 0.86 P2RX7 (0.47) ALDH1A1MAPTARPOLBP2RX7
SCHEMBL3076000 0.85 KDM4E (0.48) MAPK14LMNAALDH1A1PPARGMAPT
SCHEMBL3089498 0.85 AR (0.49) MAPK1ARKMT2A
SCHEMBL3076021 0.85 AR (0.49) MAPK1ARKMT2A
SCHEMBL3083304 0.84 AR (0.48) AR
SCHEMBL3076321 0.84 AR (0.52) LMNAMAPK1ARKMT2A
SCHEMBL3080571 0.84 AR (0.61) LMNAMAPK1AR
SCHEMBL3086661 0.84 HPGD (0.45) LMNAALDH1A1MAPK1PPARGHTT
SCHEMBL3088555 0.84 AR (0.59) MAPK1ARKMT2A

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 MAPK14 1797/4885LMNA 4608/4885ALDH1A1 809/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 MAPK14 1837/4885LMNA 4607/4885ALDH1A1 816/4885

“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.