SCHEMBL5270446

SCHEMBL5270446

COc1ccc(-n2nc(C(=O)N3CCC[C@@H]3CF)cc2-c2ccccn2)nn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.42
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
SCD5 Q86SK9 2/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
SCD O00767 1/20 0.36
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NR2F2 P24468 1/20 0.34
DAGLB Q8NCG7 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34

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
SCHEMBL5271916 1.00 NTRK1 (0.42) NTRK1RAB9ANPC1HCRTR1HCRTR2
SCHEMBL5268570 0.92 ADORA2A (0.44) NTRK1RAB9ANPC1HCRTR1HCRTR2
SCHEMBL14529239 0.90 NTRK1 (0.44) NTRK1RAB9ANPC1HCRTR1HCRTR2
SCHEMBL5269213 0.89 GRM5 (0.35) NTRK1RAB9ANPC1HCRTR1HCRTR2
SCHEMBL5271842 0.88 HPGD (0.42) NTRK1RAB9ANPC1HCRTR1HCRTR2
SCHEMBL5272388 0.87 SCD5 (0.38) NTRK1RAB9ANPC1HCRTR1HCRTR2
SCHEMBL2919146 0.83 SCD5 (0.40) NTRK1HCRTR1HCRTR2SCD5SCD
SCHEMBL5267088 0.82 MEN1 (0.44) NTRK1HCRTR1HCRTR2SCD5SCD
SCHEMBL2915785 0.82 ADORA2A (0.42) RAB9ANPC1SCD5ADORA2ASCD
SCHEMBL2918205 0.81 CYP2C9 (0.41) RAB9ANPC1SCD5ADORA2ASCD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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 (1 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 NTRK1 4691/4885RAB9A 2864/4885NPC1 4323/4885

“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.