SCHEMBL4146338

SCHEMBL4146338

N#Cc1nccc(C(=O)c2ccc3ccccc3c2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 1/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPK14 Q16539 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 1/20 0.36
EGFR P00533 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4146286 0.80 HSD17B14 (0.48) HSD17B14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4145394 0.74 HSD17B14 (0.48) HSD17B14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4139690 0.74 HSD17B14 (0.54) HSD17B14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2857473 0.74 HSD17B14 (0.50) HSD17B14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4079787 0.72 HSD17B14 (0.55) HSD17B14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2861875 0.72 HSD17B14 (0.51) HSD17B14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL27536100 0.70 HSD17B14 (0.63) HSD17B14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9487939 0.69 HSD17B14 (0.57) HSD17B14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4136985 0.68 HSD17B14 (0.54) HSD17B14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL941698 0.68 CES2 (0.74) HSD17B14MEN1KMT2ASMN1; SMN2MAPT

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 10 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 HSD17B14 1175/4885MEN1 4415/4885KMT2A 810/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HSD17B14 1405/4885MEN1 4470/4885KMT2A 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.