SCHEMBL7945490

SCHEMBL7945490

Cc1nc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)c(C)o1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.48
BACE1 P56817 10/20 0.44
GRM4 Q14833 6/20 0.40
VCP P55072 1/20 0.40
BACE2 Q9Y5Z0 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
SCHEMBL7934694 0.88 DGAT1 (0.45) PRKCIBACE1GRM4
SCHEMBL7942222 0.86 BACE1 (0.59) BACE1GRM4
SCHEMBL7941408 0.84 HPGD (0.48) PRKCIBACE1VCP
SCHEMBL7942445 0.84 BACE1 (0.47) BACE1GRM4VCPBACE2
SCHEMBL7934692 0.83 BACE1 (0.48) PRKCIBACE1VCP
SCHEMBL12302349 0.83 BACE1 (0.44) PRKCIBACE1GRM4VCPBACE2
SCHEMBL7940417 0.82 HPGD (0.48) PRKCIBACE1
SCHEMBL7942072 0.82 NAMPT (0.49) PRKCIBACE1GRM4BACE2
SCHEMBL7945003 0.81 RAB9A (0.56)
SCHEMBL7942056 0.81 PRKCI (0.53) PRKCIBACE1GRM4

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 PRKCI 2747/4885BACE1 1/4885GRM4 2438/4885

“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.