SCHEMBL7934694

SCHEMBL7934694

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.45
PRKCI P41743 2/20 0.45
BACE1 P56817 3/20 0.41
NTRK1 P04629 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
DDR1 Q08345 1/20 0.39
GRM4 Q14833 2/20 0.38
BRAF P15056 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
SCHEMBL7945490 0.88 PRKCI (0.48) PRKCIBACE1GRM4
SCHEMBL7933458 0.88 BACE1 (0.55) DGAT1BACE1KDM4EMAPTDDR1
SCHEMBL7939661 0.86 DGAT1 (0.44) DGAT1BACE1NTRK1ALDH1A1KDM4E
SCHEMBL7942900 0.80 PTGS1 (0.49) KDM4EMAPT
SCHEMBL7942056 0.79 PRKCI (0.53) PRKCIBACE1GRM4
SCHEMBL7934692 0.79 BACE1 (0.48) PRKCIBACE1BRAF
SCHEMBL12302349 0.79 BACE1 (0.44) PRKCIBACE1GRM4BRAF
SCHEMBL7941408 0.79 HPGD (0.48) PRKCIBACE1ALDH1A1KDM4EMAPT
SCHEMBL7940417 0.79 HPGD (0.48) PRKCIBACE1ALDH1A1MAPT
SCHEMBL7942072 0.79 NAMPT (0.49) PRKCIBACE1KDM4EMAPTGRM4

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 DGAT1 3937/4885PRKCI 2747/4885BACE1 1/4885

“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.