SCHEMBL7942377

SCHEMBL7942377

Nc1ncccc1NCc1cccc(NC(=O)c2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.67
RXFP1 Q9HBX9 2/20 0.52
ACKR3 P25106 4/20 0.49
KDR P35968 2/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
CSF1R P07333 1/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
DDR1 Q08345 1/20 0.48
DDR2 Q16832 1/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL7939887 0.89 BACE1 (0.59) BACE1RXFP1KDRABL1EGFR
SCHEMBL7940965 0.87 BACE1 (0.70) BACE1ACKR3AURKAAURKB
SCHEMBL7944492 0.87 BACE1 (0.58) BACE1RXFP1KDRABL1EGFR
SCHEMBL7935614 0.86 BACE1 (0.50) BACE1RXFP1KDRABL1EGFR
SCHEMBL7944661 0.86 BACE1 (0.71) BACE1ACKR3KDRAURKAAURKB
SCHEMBL7933183 0.86 BACE1 (0.71) BACE1KDRAURKAAURKB
SCHEMBL7942381 0.86 BACE1 (0.56) BACE1RXFP1KDRABL1EGFR
SCHEMBL7933424 0.85 BACE1 (0.73) BACE1KDRDDR1DDR2AURKA
SCHEMBL7944667 0.85 BACE1 (0.70) BACE1AURKAAURKB
SCHEMBL7944846 0.85 BACE1 (0.49) BACE1

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 1/4885RXFP1 2539/4885ACKR3 3283/4885

“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.