SCHEMBL12301430

SCHEMBL12301430

Cc1cnc(N2CCN=N2)cn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.33
GPR119 Q8TDV5 2/20 0.33
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL14088081 0.70 HRH3 (0.41) GPR119
SCHEMBL2629285 0.67 KCNH2 (0.45) KCNH2GPR119
SCHEMBL240638 0.65 SMN1; SMN2 (0.47) KCNH2GPR119
SCHEMBL10168488 0.65 KCNH2 (0.33) KCNH2GPR119
SCHEMBL82304 0.65
SCHEMBL81828 0.64 HTR3A (0.52) KCNH2GPR119
SCHEMBL8207362 0.64 KCNH2 (0.43) KCNH2GPR119
SCHEMBL2629281 0.63 PLD1 (0.47) KCNH2GPR119CHRNB2CHRNA4
SCHEMBL3837138 0.63 ADRB1 (0.44)
SCHEMBL807298 0.63 ALDH1A1 (0.54)

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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 KCNH2 2109/4885GPR119 709/4885CHRNB2 256/4885

“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.