SCHEMBL4137818

SCHEMBL4137818

O=C(c1cccc(F)c1)c1ccncc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
PARP1 P09874 1/20 0.46
MAPK14 Q16539 3/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
AGTR1 P30556 1/20 0.44
OPRK1 P41145 1/20 0.44
RAB9A P51151 1/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
BRAF P15056 1/20 0.43
CSF1R P07333 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL1642906 0.85 KMT2A (0.50) CES2CES1PARP1MAPK14KMT2A
SCHEMBL20385461 0.83 KMT2A (0.55) MAPK14KMT2AMEN1
SCHEMBL4139690 0.79 HSD17B14 (0.54) CES2CES1MAPK14KMT2AMEN1
SCHEMBL30706504 0.79 AGTR1 (0.57) CES2CES1PARP1KMT2AMEN1
SCHEMBL10487079 0.79 AGTR1 (0.57) CES2CES1PARP1KMT2AMEN1
SCHEMBL1513045 0.78 CES2 (0.57) CES2CES1PARP1MAPK14KMT2A
SCHEMBL1642054 0.76 NPSR1 (0.46) KMT2AMEN1AGTR1OPRK1RAB9A
SCHEMBL1258944 0.75 CES2 (0.74) CES2CES1PARP1KMT2AMEN1
SCHEMBL13347759 0.75 KMT2A (0.50) CES2CES1MAPK14KMT2AMEN1
SCHEMBL2705684 0.73 CES2 (0.71) CES2CES1PARP1KMT2AMEN1

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 CES2 3799/4885CES1 3709/4885PARP1 3214/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CES2 3958/4885CES1 3956/4885PARP1 3155/4885

“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.