SCHEMBL10285156

SCHEMBL10285156

CCc1nn(CCNC(=O)OC(C)(C)C)c(Cn2cccn2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.34
KLKB1 P03952 1/20 0.34
P2RX3 P56373 1/20 0.32
MAPT P10636 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
BRD4 O60885 1/20 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
KDM4E B2RXH2 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL14540663 0.91 MAPT (0.36) DRD2KLKB1P2RX3MAPTPTGDR2
SCHEMBL509399 0.89 MAPT (0.36) KLKB1MAPTPTGDR2KDM4E
SCHEMBL10285155 0.86 DRD2 (0.38) DRD2P2RX3MAPTPTGDR2BRD4
SCHEMBL10285154 0.85 DRD2 (0.37) DRD2P2RX3MAPTPTGDR2BRD4
SCHEMBL14540478 0.85 DRD2 (0.37) DRD2P2RX3MAPTPTGDR2BRD4
SCHEMBL10285114 0.85 DRD2 (0.37) DRD2P2RX3MAPTPTGDR2BRD4
SCHEMBL10285523 0.84 DRD2 (0.36) DRD2P2RX3MAPTPTGDR2BRD4
SCHEMBL10285153 0.82 DRD2 (0.38) DRD2
SCHEMBL10285187 0.81 DRD2 (0.34) DRD2P2RX3MAPTPTGDR2PRMT5
SCHEMBL5233666 0.81 PTGDR2 (0.33) KLKB1MAPTPTGDR2

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 7 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

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 2492/4885KLKB1 2456/4885P2RX3 1064/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD DRD2 2472/4885KLKB1 2171/4885P2RX3 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.