SCHEMBL4145498

SCHEMBL4145498

C=Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(F)cc(C(=O)NC3CC3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.37
ADRA2A P08913 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
NPY5R Q15761 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.36
MAPK14 Q16539 2/20 0.35
RIPK1 Q13546 1/20 0.35
BRD4 O60885 3/20 0.35
HTT P42858 1/20 0.35
MAPK13 O15264 4/20 0.35
ACSS2 Q9NR19 1/20 0.35
TRIM24 O15164 1/20 0.35

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
SCHEMBL13927793 0.80 HPGD (0.41) MCHR1MAPK14MAPK13TAS1R3TAS1R1
SCHEMBL4145854 0.67 NTSR1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13927825 0.66 KDR (0.46) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13927823 0.63 CHEK1 (0.41) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL2866398 0.63 PTGER1 (0.41) ADORA2A
SCHEMBL13927792 0.63 LMNA (0.33) RAB9ASMN1; SMN2HTT
SCHEMBL2861573 0.63 SRC (0.40) MEN1KMT2A
SCHEMBL13927828 0.61 KDR (0.42) MAPK14MAPK13
SCHEMBL28541372 0.61 HPGD (0.47) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL124395 0.61 NPC1 (0.79) ADRA1ANPC1RAB9AMEN1KMT2A

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 6 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-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 MCHR1 2657/4885ADRA2A 234/4885HTR1A 1729/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MCHR1 2850/4885ADRA2A 352/4885HTR1A 2297/4885

“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.