SCHEMBL7943350

SCHEMBL7943350

Nc1ncccc1NCc1cc(NC(=O)c2ncc(C(F)(F)F)cc2F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.46
KDR P35968 4/20 0.41
FLT1 P17948 3/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
GRM4 Q14833 1/20 0.39
BACE2 Q9Y5Z0 3/20 0.39
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
CSF1R P07333 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
FLT4 P35916 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 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
SCHEMBL7943347 0.92 BACE1 (0.50) BACE1KDM4EMAPTBACE2MEN1
SCHEMBL7945260 0.89 BACE1 (0.45) BACE1GRM4BACE2
SCHEMBL7944846 0.88 BACE1 (0.49) BACE1GRM4BACE2
SCHEMBL7935615 0.87 PRKCI (0.44) BACE1KDRFLT1KDM4EMAPT
SCHEMBL7942381 0.87 BACE1 (0.56) BACE1KDRFLT1KDM4EMAPT
SCHEMBL7934095 0.87 PTGS1 (0.49) KDR
SCHEMBL7941823 0.86 BACE1 (0.46) BACE1GRM4KITALDH1A1
SCHEMBL7935460 0.85 BACE1 (0.49) BACE1GRM4BACE2
SCHEMBL7935684 0.85 BACE1 (0.48) BACE1BACE2
SCHEMBL7939193 0.84 BACE1 (0.46) BACE1BACE2

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 BACE1 1/4885KDR 4039/4885FLT1 4329/4885

“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.