SCHEMBL4139812

SCHEMBL4139812

Nc1cc(F)c2[nH]nc(C=Cc3ccc(F)cc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
NFE2L2 Q16236 4/20 0.37
KDR P35968 5/20 0.37
CHEK1 O14757 5/20 0.37
FGFR1 P11362 1/20 0.36
GRM4 Q14833 1/20 0.35
PTGS1 P23219 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34

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
SCHEMBL4144766 0.89 KDR (0.47) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL4145365 0.88 TTK (0.45) MAPTKDRCHEK1AURKAAURKB
SCHEMBL4149528 0.85 CHEK1 (0.50) NFE2L2KDRCHEK1FGFR1GRM4
SCHEMBL4144406 0.82 CHEK1 (0.34) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL4136204 0.81 CHEK1 (0.45) MEN1KMT2ANFE2L2CHEK1GRM4
SCHEMBL4140773 0.81 CHEK1 (0.45) MEN1KMT2ANFE2L2CHEK1GRM4
SCHEMBL4146661 0.80 KDM4E (0.35) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4146657 0.80 KDM4E (0.35) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4137655 0.80 TTK (0.46) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4137662 0.80 TTK (0.46) KDM4EMEN1ALDH1A1GLAGAA

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 3 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-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 (1 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 KDM4E 2622/4885MEN1 4415/4885ALDH1A1 2731/4885

“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.