SCHEMBL4900313

SCHEMBL4900313

CC(C)c1nc(CCO)[nH]c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
FASN P49327 4/20 0.32

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
SCHEMBL4894069 0.90 MAP2K2 (0.33) MAP2K2MAP2K1FASN
SCHEMBL4891153 0.81 KCNH2 (0.39) MAP2K2MAP2K1FASN
SCHEMBL8346651 0.81 HSP90B1 (0.32)
SCHEMBL4903195 0.77 FASN (0.34) FASN
SCHEMBL4900444 0.77 MAOB (0.35) MAP2K2MAP2K1
SCHEMBL4896839 0.72 HSP90B1 (0.30)
SCHEMBL4900824 0.71 KCNH2 (0.40) MAP2K2MAP2K1
SCHEMBL4899905 0.71
SCHEMBL6559757 0.70 TDP1 (0.36)
SCHEMBL4900356 0.67 FASN (0.32) MAP2K2MAP2K1FASN

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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 MAP2K2 3967/4885MAP2K1 4066/4885FASN 723/4885

“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.