SCHEMBL4145665

SCHEMBL4145665

OC(c1ccc2ccccc2c1)c1ccncc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.50
CYP2D6 P10635 12/20 0.50
SLC6A2 P23975 12/20 0.50
SLC6A4 P31645 12/20 0.50
SLC6A3 Q01959 12/20 0.50
KCNH2 Q12809 11/20 0.50
UGT2B7 P16662 1/20 0.44
ROCK2 O75116 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL26704779 0.81 SMN1; SMN2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4150070 0.79 IGFBP3 (0.40) ROCK2RPS6KA3CYP19A1GAA
SCHEMBL600527 0.73 UGT2B7 (0.68) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30033673 0.73 UGT2B7 (0.68) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL23882840 0.72 CYP19A1 (0.45) CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL4137944 0.72 UGT2B7 (0.45) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10034523 0.72 RPS6KA3 (0.38) CYP3A4RPS6KA3CYP17A1CYP19A1CYP11B1
SCHEMBL26326655 0.71 UGT2B7 (0.55) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4085392 0.69 CYP3A4 (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL17237857 0.68 UGT2B7 (0.52) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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 CYP3A4 588/4885CYP2D6 315/4885SLC6A2 2927/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CYP3A4 1005/4885CYP2D6 599/4885SLC6A2 3358/4885

“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.