SCHEMBL10285187

SCHEMBL10285187

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.34
MAPT P10636 2/20 0.33
LTA4H P09960 1/20 0.33
EPAS1 Q99814 1/20 0.32
P2RX3 P56373 1/20 0.31
BRD4 O60885 2/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
IDO1 P14902 2/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL509007 0.89 MAPT (0.36) MAPTLTA4HCD274PTGDR2
SCHEMBL10285155 0.87 DRD2 (0.38) DRD2MAPTEPAS1P2RX3BRD4
SCHEMBL10285114 0.86 DRD2 (0.37) DRD2MAPTEPAS1P2RX3BRD4
SCHEMBL10285154 0.86 DRD2 (0.37) DRD2MAPTEPAS1P2RX3BRD4
SCHEMBL14540478 0.86 DRD2 (0.37) DRD2MAPTEPAS1P2RX3BRD4
SCHEMBL509369 0.86 LTA4H (0.33) MAPTLTA4HPTGDR2
SCHEMBL10285159 0.85 BRD4 (0.36) DRD2P2RX3BRD4PTGDR2
SCHEMBL10285523 0.84 DRD2 (0.36) DRD2MAPTEPAS1P2RX3BRD4
SCHEMBL5226744 0.84 MAPT (0.37) MAPTLTA4HALDH1A1PTGDR2
SCHEMBL5231705 0.83 PTGDR2 (0.31) MAPTLTA4HPTGDR2

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 8 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-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-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 DRD2 2492/4885MAPT 2220/4885LTA4H 1119/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD DRD2 2472/4885MAPT 1474/4885LTA4H 1802/4885

“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.