SCHEMBL4146286

SCHEMBL4146286

O=C(c1ccc2ccccc2c1)c1ccnc(Cl)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PTPN1 P18031 1/20 0.42
DOT1L Q8TEK3 1/20 0.41
MAPK14 Q16539 2/20 0.41
ACHE P22303 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HIPK2 Q9H2X6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4146338 0.80 HSD17B14 (0.45) HSD17B14MEN1KMT2AMAPTMAPK1
SCHEMBL4145447 0.75 HSD17B14 (0.51) HSD17B14MEN1KMT2AMAPTMAPK1
SCHEMBL4139690 0.74 HSD17B14 (0.54) HSD17B14MEN1KMT2AMAPTMAPK1
SCHEMBL29613672 0.71 CES2 (0.74) HSD17B14MEN1KMT2AMAPTMAPK1
SCHEMBL30250451 0.71 CES2 (0.74) HSD17B14MEN1KMT2AMAPTMAPK1
SCHEMBL941698 0.71 CES2 (0.74) HSD17B14MEN1KMT2AMAPTMAPK1
SCHEMBL473869 0.70 KDM4E (0.63) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL1462341 0.70 KDM4E (0.44) KMT2ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29418893 0.70 KDM4E (0.63) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL4143881 0.70 HSD17B14 (0.55) HSD17B14MEN1KMT2AMAPTMAPK1

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 9 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
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.