SCHEMBL4879837

SCHEMBL4879837

CCc1nc(CN)n(CC)c1Sc1cc(Cl)cc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
HSP90B1 P14625 1/20 0.30
TRAP1 Q12931 1/20 0.30
POLB P06746 1/20 0.30
ADRB2 P07550 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 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
SCHEMBL4900200 0.92 KCNH2 (0.34) KCNH2HSP90B1
SCHEMBL14108423 0.91 KCNH2 (0.34) KCNH2
SCHEMBL4887120 0.89 KCNH2 (0.35) KCNH2POLBADRB2HTTSMN1; SMN2
SCHEMBL4882617 0.87 KCNH2 (0.34) KCNH2
SCHEMBL4875978 0.84 KCNH2 (0.33) KCNH2POLBADRB2HTTSMN1; SMN2
Cadaverine Tartrate SCHEMBL4875994 0.84
SCHEMBL4884582 0.81 TSHR (0.36) KCNH2HTTSMN1; SMN2TSHR
SCHEMBL4902602 0.80 KCNH2 (0.32) KCNH2HSP90B1
SCHEMBL4886717 0.79 LMNA (0.35) POLBSMN1; SMN2
SCHEMBL4896799 0.78 KCNH2 (0.30) KCNH2HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
EP-1838679-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS Pfizer Limited (GB) 2007-10-03 EP disclosed
WO-2006072833-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS PFIZER LIMITED (GB) 2006-07-13 WO 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-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators POLRMT, POLR1G, POLR2A KCNH2 3790/4885HSP90B1 1544/4885TRAP1 1954/4885

“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.