SCHEMBL7935615

SCHEMBL7935615

Nc1ncccc1NCc1cc(NC(=O)c2ncc(C(F)(F)F)cc2F)ccn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
BACE1 P56817 7/20 0.42
KDR P35968 6/20 0.40
FLT1 P17948 3/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
CSF1R P07333 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FLT4 P35916 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.39
RXFP1 Q9HBX9 2/20 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
SCHEMBL7941882 0.90 BACE1 (0.47) PRKCIBACE1KDM4EMAPT
SCHEMBL7940397 0.89 PRKCI (0.47) PRKCIBACE1
SCHEMBL7943350 0.87 BACE1 (0.46) BACE1KDRFLT1ABL1EGFR
SCHEMBL7942381 0.87 BACE1 (0.56) BACE1KDRFLT1ABL1EGFR
SCHEMBL7942056 0.86 PRKCI (0.53) PRKCIBACE1KIT
SCHEMBL7935614 0.86 BACE1 (0.50) PRKCIBACE1KDRFLT1ABL1
SCHEMBL7942900 0.85 PTGS1 (0.49) KDRFLT1ABL1EGFRCSF1R
SCHEMBL7941938 0.85 BACE1 (0.49) PRKCIBACE1
SCHEMBL7945312 0.85 BACE1 (0.44) PRKCIBACE1
SCHEMBL7944672 0.81 BACE1 (0.46) PRKCIBACE1

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 2 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
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 1/4885KDR 4039/4885

“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.