SCHEMBL4136196

SCHEMBL4136196

NC(=O)n1nc(/C=C/c2cccnc2)c2c[c]cc(F)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
NTSR1 P30989 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PFKFB3 Q16875 1/20 0.35
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TBXAS1 P24557 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A1 P04798 3/20 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
SCHEMBL4136199 1.00 MAPT (0.39) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL4144758 0.88 ENPP3 (0.33) L3MBTL1NFE2L2
SCHEMBL4144764 0.88 ENPP3 (0.33) L3MBTL1NFE2L2
SCHEMBL4145361 0.87 JUN (0.33) KDM4EJUNNFKB1HDAC1
SCHEMBL4145363 0.87 JUN (0.33) KDM4EJUNNFKB1HDAC1
SCHEMBL4149522 0.84 NFE2L2 (0.39) MAPTKDM4EL3MBTL1NFE2L2ALDH1A1
SCHEMBL4149526 0.84 NFE2L2 (0.39) MAPTKDM4EL3MBTL1NFE2L2ALDH1A1
SCHEMBL4139807 0.83 ENPP2 (0.36) MAPTRAB9AKDM4ENPC1TDP1
SCHEMBL4139804 0.83 ENPP2 (0.36) MAPTRAB9AKDM4ENPC1TDP1
SCHEMBL4141485 0.80 NFE2L2 (0.37) RAB9AKDM4ENPC1POLBTDP1

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 MAPT 2811/4885RAB9A 1606/4885KDM4E 2622/4885

“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.