SCHEMBL5269744

SCHEMBL5269744

COc1ccc(-n2nc(C(=O)N3CC(F)(F)C3)cc2-c2ccccn2)nn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.38
CHRNA7 P36544 1/20 0.37
RIPK1 Q13546 4/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
CFTR P13569 2/20 0.35
SCD5 Q86SK9 2/20 0.35
SCD O00767 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
MGLL Q99685 2/20 0.34
GABRA1 P14867 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5274388 0.93 CHRNA7 (0.41) NTRK1CHRNA7ABL1BCRCFTR
SCHEMBL2918876 0.91 CYP1A2 (0.38) CHRNA7RIPK1ABL1BCRCFTR
SCHEMBL2916627 0.91 ABL1 (0.38) NTRK1ABL1BCRCFTRMGLL
SCHEMBL2915785 0.87 ADORA2A (0.42) ABL1BCRCFTRSCD5SCD
SCHEMBL2918205 0.87 CYP2C9 (0.41) ABL1BCRCFTRSCD5SCD
SCHEMBL2919146 0.86 SCD5 (0.40) NTRK1HCRTR1HCRTR2ABL1BCR
SCHEMBL2919454 0.86 MGLL (0.46) NTRK1HCRTR1HCRTR2ABL1BCR
SCHEMBL2921476 0.86 CFTR (0.45) NTRK1ABL1BCRCFTRMGLL
SCHEMBL2919430 0.85 MGLL (0.46) MGLLNPSR1TDP1
Hydrochloric Acid SCHEMBL4247447 0.85 MGLL (0.46) NTRK1HCRTR1HCRTR2ABL1BCR

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 4691/4885CHRNA7 4207/4885RIPK1 3439/4885

“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.