SCHEMBL7939284

SCHEMBL7939284

Cc1cc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.44
PRKCI P41743 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NAMPT P43490 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
BRAF P15056 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
VCP P55072 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7940381 0.90 MEN1 (0.46) BACE1PRKCIMEN1KMT2ANAMPT
SCHEMBL7939288 0.88 BACE1 (0.42) BACE1PRKCIMEN1KMT2AGAA
SCHEMBL7941376 0.87 BACE1 (0.42) BACE1PRKCIMEN1KMT2ANAMPT
SCHEMBL7940330 0.86 BACE1 (0.59) BACE1MEN1KMT2ANAMPTMAPT
SCHEMBL7940383 0.85 BACE1 (0.49) BACE1PRKCIMEN1KMT2AGAA
SCHEMBL7941268 0.84 BACE1 (0.48) BACE1MEN1KMT2ANAMPTGAA
SCHEMBL7942253 0.80 BACE1 (0.58) BACE1PRKCIMEN1KMT2AGAA
SCHEMBL7932666 0.80 NAMPT (0.49) BACE1PRKCINAMPTMAPTKDR
SCHEMBL7932664 0.80 BACE1 (0.46) BACE1PRKCIMEN1KMT2AMAPT
SCHEMBL7944281 0.80 ALOX12 (0.53) BACE1PRKCIMEN1KMT2AALDH1A1

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 3 patents. 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
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 BACE1 1/4885PRKCI 2747/4885MEN1 1150/4885

“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.