SCHEMBL10285159

SCHEMBL10285159

CCc1nn(CCNC(=O)OC(C)(C)C)c(CNCc2ccc(OC)cc2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.36
CNR1 P21554 1/20 0.36
P2RX3 P56373 1/20 0.35
GAA P10253 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
DYRK1A Q13627 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
DRD2 P14416 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
SCHEMBL10285742 0.90 CACNA1G (0.35) BRD4P2RX3GAAPTGDR2DRD2
SCHEMBL509764 0.89 ALDH1A1 (0.39) CNR1PTGDR2CARM1PRMT6
SCHEMBL10285187 0.85 DRD2 (0.34) BRD4P2RX3PTGDR2DRD2
SCHEMBL12133533 0.84 POLB (0.32) CNR1PTGDR2
SCHEMBL10285155 0.84 DRD2 (0.38) BRD4P2RX3PTGDR2DRD2
SCHEMBL10285114 0.83 DRD2 (0.37) BRD4P2RX3PTGDR2DRD2
SCHEMBL14540478 0.83 DRD2 (0.37) BRD4P2RX3PTGDR2DRD2
SCHEMBL10285154 0.83 DRD2 (0.37) BRD4P2RX3PTGDR2DRD2
SCHEMBL5230405 0.82 PTGDR2 (0.37) CNR1PTGDR2CARM1PRMT6
SCHEMBL5228699 0.82 POLB (0.36) CNR1PTGDR2CARM1PRMT6

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-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 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 (2 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 BRD4 864/4885CNR1 3353/4885P2RX3 1064/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD BRD4 943/4885CNR1 3859/4885P2RX3 1533/4885

“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.