SCHEMBL4140920

SCHEMBL4140920

Nc1cc2c(C=Cc3cccnc3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NFE2L2 Q16236 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
GRM4 Q14833 1/20 0.33
RORC P51449 1/20 0.33
ALOX5 P09917 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
CHEK1 O14757 1/20 0.33
NTSR1 P30989 1/20 0.33
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RAD1 O60671 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4140916 1.00 CYP11B1 (0.40) CYP11B1CYP11B2KMT2AMEN1NPC1
SCHEMBL4149268 0.85 NFE2L2 (0.42) NPC1RAB9ANFE2L2GRM4PTGS1
SCHEMBL4149270 0.85 NFE2L2 (0.42) NPC1RAB9ANFE2L2GRM4PTGS1
SCHEMBL4140501 0.85 NTSR1 (0.40) CYP11B1CYP11B2KMT2AMEN1NPC1
SCHEMBL4140496 0.85 NTSR1 (0.40) CYP11B1CYP11B2KMT2AMEN1NPC1
SCHEMBL4149703 0.85 NFE2L2 (0.37) KMT2AMEN1NPC1RAB9ANFE2L2
SCHEMBL4149708 0.85 NFE2L2 (0.37) KMT2AMEN1NPC1RAB9ANFE2L2
SCHEMBL4154628 0.84 NFE2L2 (0.35) RAB9ANFE2L2
SCHEMBL4154631 0.84 NFE2L2 (0.35) RAB9ANFE2L2
SCHEMBL4151093 0.84 VCP (0.37) CYP11B1CYP11B2KMT2AMEN1NPC1

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 CYP11B1 124/4885CYP11B2 106/4885KMT2A 810/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CYP11B1 138/4885CYP11B2 121/4885KMT2A 741/4885

“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.