SCHEMBL15959463

SCHEMBL15959463

CC(C)c1cn2cc(C#N)nc2cn1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.35
PANK3 Q9H999 1/20 0.31

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
SCHEMBL798477 0.81 MCHR1 (0.35)
SCHEMBL7941806 0.80 KCNH2 (0.34) TGFBR1
SCHEMBL12248520 0.76 NOS3 (0.32)
SCHEMBL21664098 0.75
SCHEMBL31035602 0.75 APP (0.31)
SCHEMBL12778122 0.71 EGLN2 (0.31)
SCHEMBL20138203 0.71 EGLN2 (0.34) TGFBR1
SCHEMBL31035721 0.71
SCHEMBL4179744 0.70 PTGS1 (0.37)
SCHEMBL21663752 0.69 ALDH1A3 (0.49)

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-20140235626-A1 PYRIDINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM SHIONOGI & CO., LTD. (JP) 2014-08-21 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-20140235626-A1 PYRIDINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM BACE1, BACE2, APP TGFBR1 544/4885PANK3 4835/4885

“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.