SCHEMBL7942900

SCHEMBL7942900

Nc1ncccc1NCc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.49
RXFP1 Q9HBX9 2/20 0.47
KDR P35968 2/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
CSF1R P07333 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
CES1 P23141 1/20 0.46
TRPV1 Q8NER1 7/20 0.46
RAF1 P04049 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7935614 0.89 BACE1 (0.50) RXFP1KDRABL1EGFRCSF1R
SCHEMBL7940998 0.88 GAA (0.50) KDRTRPV1KDM4EMEN1NPC1
SCHEMBL7939887 0.86 BACE1 (0.59) PTGS1RXFP1KDRABL1EGFR
SCHEMBL7941383 0.85 RAB9A (0.53) RXFP1MEN1NPC1LMNARAB9A
SCHEMBL7935615 0.85 PRKCI (0.44) RXFP1KDRABL1EGFRCSF1R
SCHEMBL7934095 0.84 PTGS1 (0.49) PTGS1KDRCES1TRPV1
SCHEMBL7941882 0.84 BACE1 (0.47) MAPTKDM4EMEN1LMNARAB9A
SCHEMBL7942056 0.81 PRKCI (0.53) KIT
SCHEMBL7942273 0.81 BACE1 (0.44) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL7939305 0.80 BACE1 (0.52)

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 PTGS1 3275/4885RXFP1 2539/4885KDR 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.