SCHEMBL4931375

SCHEMBL4931375

Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3CF)nn2-c2cccnc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.40
HCRTR2 O43614 7/20 0.40
GRM5 P41594 8/20 0.39
NTRK1 P04629 2/20 0.38
CYP3A4 P08684 2/20 0.37
KDM1A O60341 1/20 0.36
CYP2A6 P11509 1/20 0.35
NAMPT P43490 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
SCHEMBL4931055 0.91 GRM5 (0.42) HCRTR1HCRTR2GRM5NTRK1NAMPT
SCHEMBL4932667 0.84 MGLL (0.46) KDM1A
SCHEMBL4927658 0.83 VNN1 (0.42) GRM5CYP3A4KDM1ACYP2A6
SCHEMBL14261654 0.82 KDM1A (0.43) GRM5CYP3A4KDM1ACYP2A6
SCHEMBL4932654 0.82 PDK2 (0.40) HCRTR1HCRTR2NTRK1KDM1ANAMPT
SCHEMBL4925391 0.82 KDM1A (0.44) KDM1A
SCHEMBL4932956 0.81 GRM5 (0.36) HCRTR1HCRTR2GRM5CYP3A4KDM1A
SCHEMBL4927907 0.81 KDM1A (0.46) GRM5CYP3A4KDM1ACYP2A6
SCHEMBL4933965 0.79 KDM1A (0.44) NTRK1KDM1A
SCHEMBL4927976 0.79 CYP3A4 (0.39) GRM5CYP3A4KDM1ACYP2A6

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-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
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 HCRTR1 1991/4885HCRTR2 1254/4885GRM5 1347/4885

“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.