SCHEMBL4137560

SCHEMBL4137560

CC(C)(C)OC(=O)Nc1cc2c(/C=C/c3cccs3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.35
CYP17A1 P05093 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
METAP1 P53582 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
TP53 P04637 1/20 0.33
KDR P35968 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 3/20 0.32
BRD4 O60885 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
BRAF P15056 1/20 0.31
ELANE P08246 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4137566 1.00 BRD9 (0.35) BRD9CYP17A1ACSS2RXFP1METAP1
SCHEMBL13927683 0.86 CYP17A1 (0.37) BRD9CYP17A1METAP1NPC1RAB9A
SCHEMBL4150603 0.85 RXFP1 (0.35) BRD9CYP17A1ACSS2RXFP1NPC1
SCHEMBL4150612 0.85 RXFP1 (0.35) BRD9CYP17A1ACSS2RXFP1NPC1
SCHEMBL4145161 0.84 TRPV1 (0.36) BRD9CYP17A1ACSS2RXFP1MAPK1
SCHEMBL4145166 0.84 TRPV1 (0.36) BRD9CYP17A1ACSS2RXFP1MAPK1
SCHEMBL4144882 0.80 LMNA (0.35) RXFP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4144879 0.80 LMNA (0.35) RXFP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL27604914 0.80 MAPT (0.38) NPC1RAB9ASMN1; SMN2TP53KDR
SCHEMBL27604910 0.79 ALOX5 (0.32) NPC1RAB9AMAPTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B BRD9 691/4885CYP17A1 1013/4885ACSS2 3128/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B BRD9 636/4885CYP17A1 1039/4885ACSS2 3439/4885

“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.