SCHEMBL4137835

SCHEMBL4137835

Nc1cc2c(C=Cc3ccccc3F)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.36
GRM4 Q14833 1/20 0.34
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL4137829 1.00 NFE2L2 (0.36) NFE2L2GRM4CHEK1CDK1CDK4
SCHEMBL4143770 0.86 GRM4 (0.32) GRM4NPC1RAB9APOLBMAPT
SCHEMBL4143772 0.86 GRM4 (0.32) GRM4NPC1RAB9APOLBMAPT
SCHEMBL4149708 0.85 NFE2L2 (0.37) NFE2L2KDM4ENPC1RAB9ATDP1
SCHEMBL4149703 0.85 NFE2L2 (0.37) NFE2L2KDM4ENPC1RAB9ATDP1
SCHEMBL4154631 0.84 NFE2L2 (0.35) NFE2L2RAB9A
SCHEMBL4154628 0.84 NFE2L2 (0.35) NFE2L2RAB9A
SCHEMBL4149268 0.84 NFE2L2 (0.42) NFE2L2GRM4CHEK1CDK1CDK4
SCHEMBL4149270 0.84 NFE2L2 (0.42) NFE2L2GRM4CHEK1CDK1CDK4
SCHEMBL4140920 0.82 CYP11B1 (0.40) NFE2L2GRM4CHEK1KDM4ENPC1

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 NFE2L2 434/4885GRM4 1775/4885CHEK1 952/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NFE2L2 413/4885GRM4 1386/4885CHEK1 657/4885

“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.