SCHEMBL5273124

SCHEMBL5273124

Cc1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2ccc(C)nn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
HTR1A P08908 9/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.37
TACR3 P29371 1/20 0.36
CHRNA7 P36544 1/20 0.35
GRM5 P41594 1/20 0.34
PTGS2 P35354 2/20 0.34
HPGD P15428 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL14529223 0.87 MGLL (0.43) KDM1ATDP1TACR3GRM5PTGS2
SCHEMBL4933853 0.87 HTR1A (0.40) KDM1AHTR1ATDP1GABRA1TACR3
SCHEMBL4934939 0.85 CYP3A4 (0.40) KDM1AHTR1ATDP1
SCHEMBL4933069 0.85 HTR1A (0.42) KDM1AHTR1ATDP1GRM5HPGD
SCHEMBL4932861 0.83 HTR1A (0.42) KDM1AHTR1ATDP1CHRNA7GRM5
SCHEMBL5271855 0.81 GABRA1 (0.42) KDM1AGABRA1CHRNA7GRM5HPGD
SCHEMBL5266481 0.81 PPP1CA (0.41) GRM5
SCHEMBL4931684 0.80 KDM1A (0.43) KDM1AHTR1ATDP1CHRNA7GRM5
SCHEMBL5268336 0.79 CHRNA7 (0.39) KDM1AGABRA1CHRNA7PTGS2HPGD
SCHEMBL5272053 0.77 CFTR (0.42) KDM1ATDP1TACR3GRM5HPGD

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-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
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 CN disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP 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 KDM1A 1118/4885HTR1A 119/4885TDP1 2714/4885

“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.