SCHEMBL4933853

SCHEMBL4933853

Cc1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2cccnn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.40
KDM1A O60341 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
GRM5 P41594 1/20 0.37
TACR3 P29371 1/20 0.35
CHRNA7 P36544 1/20 0.35
GABRA1 P14867 1/20 0.34
CCKAR P32238 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
SCHEMBL4933069 0.89 HTR1A (0.42) HTR1AKDM1ATDP1GRM5
SCHEMBL5273124 0.87 KDM1A (0.40) HTR1AKDM1ATDP1GRM5TACR3
SCHEMBL4932861 0.86 HTR1A (0.42) HTR1AKDM1ATDP1GRM5CHRNA7
SCHEMBL4934939 0.85 CYP3A4 (0.40) HTR1AKDM1ATDP1
SCHEMBL4931684 0.84 KDM1A (0.43) HTR1AKDM1ATDP1GRM5CHRNA7
SCHEMBL4931356 0.81 MEN1 (0.41) GRM5
SCHEMBL4931213 0.78 CYP3A4 (0.40) HTR1AKDM1AGRM5
SCHEMBL4929151 0.77 KMT2A (0.42) TDP1CHRNA7
SCHEMBL4932943 0.77 ALDH1A1 (0.42) KDM1AGRM5
SCHEMBL5524327 0.76 CNR1 (0.38) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 HTR1A 362/4885KDM1A 559/4885TDP1 3885/4885

“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.