SCHEMBL7932666

SCHEMBL7932666

Cn1ccnc1C(=O)Nc1ccnc(CNc2cccnc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
BACE1 P56817 7/20 0.45
PRKCI P41743 2/20 0.45
GRM1 Q13255 2/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
KDR P35968 1/20 0.41
GRM4 Q14833 3/20 0.41
ATAD2 Q6PL18 1/20 0.40
MAPT P10636 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL12302290 0.86 BACE1 (0.61) NAMPTBACE1GRM1KDM4EPOLB
SCHEMBL7934790 0.83 BACE1 (0.48) NAMPTBACE1GRM1KDM4EPOLB
SCHEMBL7940383 0.81 BACE1 (0.49) BACE1PRKCIKDM4EMAPTROCK1
SCHEMBL7939284 0.80 BACE1 (0.44) NAMPTBACE1PRKCIPOLBKDR
SCHEMBL7932768 0.80 BACE1 (0.49) BACE1PRKCIMAPT
SCHEMBL7940381 0.80 MEN1 (0.46) NAMPTBACE1PRKCIKDRGRM4
SCHEMBL7932754 0.79 BACE1 (0.55) BACE1PRKCIKDRGRM4
SCHEMBL7934692 0.78 BACE1 (0.48) BACE1PRKCI
SCHEMBL7940998 0.78 GAA (0.50) NAMPTBACE1PRKCIKDM4EKDR
SCHEMBL7942056 0.78 PRKCI (0.53) BACE1PRKCIGRM4

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 NAMPT 3035/4885BACE1 1/4885PRKCI 2747/4885

“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.