SCHEMBL4927658

SCHEMBL4927658

Cc1ccc(-c2cc(C(=O)N3CCCCC3C(N)=O)nn2-c2cccnc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.42
PIM1 P11309 1/20 0.38
GRM5 P41594 5/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
CNR2 P34972 3/20 0.37
JAK2 O60674 1/20 0.35
SCN9A Q15858 1/20 0.35
KDM1A O60341 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
GRM1 Q13255 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GPBAR1 Q8TDU6 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
SCHEMBL4931595 0.90 VNN1 (0.42) VNN1PIM1GRM5CNR2JAK2
SCHEMBL5267297 0.87 KDM1A (0.39) VNN1PIM1GRM5CNR2SCN9A
SCHEMBL4932956 0.86 GRM5 (0.36) GRM5KDM1ACYP3A4CYP2A6RAB9A
SCHEMBL4931935 0.83 CYP3A4 (0.38) GRM5CNR2KDM1ACYP3A4CYP2A6
SCHEMBL4931375 0.83 HCRTR1 (0.40) GRM5KDM1ACYP3A4CYP2A6
SCHEMBL14261654 0.81 KDM1A (0.43) GRM5KDM1ACYP3A4CYP2A6
SCHEMBL4924423 0.80 CYP3A4 (0.38) PIM1GRM5CNR2KDM1ACYP3A4
SCHEMBL4927907 0.79 KDM1A (0.46) GRM5KDM1ACYP3A4CYP2A6
SCHEMBL4927976 0.79 CYP3A4 (0.39) PIM1GRM5CNR2KDM1ACYP3A4
SCHEMBL4925391 0.79 KDM1A (0.44) KDM1A

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
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP 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 VNN1 4457/4885PIM1 923/4885GRM5 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.