SCHEMBL508351

SCHEMBL508351

Cc1n[nH]c(CNC(CO)Cc2ccc(C#N)cc2)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
SLC2A1 P11166 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
RORC P51449 1/20 0.31
IDO1 P14902 1/20 0.30
SCN9A Q15858 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1B Q00975 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
SCHEMBL508578 0.83 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6PIK3R1
SCHEMBL5225752 0.83 KCNH2 (0.51) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5227177 0.81 KCNH2 (0.48) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5228111 0.80 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6PIK3R1
SCHEMBL508181 0.79 KCNH2 (0.47) KCNH2CYP3A4PIK3R1PIK3CALMNA
SCHEMBL5228148 0.79 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6PIK3R1
SCHEMBL5229314 0.78 KCNH2 (0.50) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5261967 0.78 KCNH2 (0.50) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5225076 0.77 KCNH2 (0.51) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5226919 0.77 KCNH2 (0.51) KCNH2CYP3A4CYP2C9CYP2D6PIK3R1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 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 (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-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885CYP3A4 62/4885CYP2C9 380/4885

“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.