SCHEMBL10285455

SCHEMBL10285455

CCc1nn(C2CN(C(=O)OC(C)(C)C)C2)c(CC)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
GPR119 Q8TDV5 8/20 0.37
BTK Q06187 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL10251223 0.92 GPR119 (0.33) KCNH2GPR119BTKEGLN2IRAK4
SCHEMBL508378 0.88 KCNH2 (0.42) KCNH2
SCHEMBL508687 0.78 KCNH2 (0.52) KCNH2
SCHEMBL509554 0.72 KCNH2 (0.52) KCNH2
SCHEMBL5226673 0.71 KCNH2 (0.47) KCNH2
SCHEMBL10250643 0.70 KCNH2 (0.43) KCNH2
SCHEMBL509696 0.70 PGR (0.48) KCNH2
SCHEMBL1347126 0.70 KCNH2 (0.51) KCNH2
Lersivirine SCHEMBL508446 0.68 KCNH2 (0.49) KCNH2ALDH1A1
SCHEMBL508713 0.68 KCNH2 (0.40) KCNH2

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
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 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 (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 KCNH2 3441/4885GPR119 2525/4885BTK 2638/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885GPR119 3037/4885BTK 3057/4885

“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.