SCHEMBL7942273

SCHEMBL7942273

Nc1ncccc1NCc1cc(NC(=O)c2coc(C(F)(F)F)n2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.44
CBLB Q13191 1/20 0.42
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
PRKCI P41743 2/20 0.39
KIT P10721 4/20 0.37
BRAF P15056 4/20 0.37
KDR P35968 2/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL7939901 0.87 BACE1 (0.59) BACE1CBLBKITKDRABL1
SCHEMBL7945654 0.87 BACE1 (0.47) BACE1PRKCIKITBRAF
SCHEMBL7934692 0.86 BACE1 (0.48) BACE1PRKCIKITBRAF
SCHEMBL12303591 0.86 BACE1 (0.50) BACE1CBLBHDAC1HDAC8HDAC6
SCHEMBL7935614 0.82 BACE1 (0.50) BACE1PRKCIKITKDRABL1
SCHEMBL7944269 0.81 BACE1 (0.48) BACE1HDAC1HDAC8HDAC6PRKCI
SCHEMBL7942900 0.81 PTGS1 (0.49) KITKDRABL1EGFRCSF1R
SCHEMBL7939305 0.79 BACE1 (0.52) BACE1HDAC1PRKCI
SCHEMBL7934694 0.79 DGAT1 (0.45) BACE1PRKCIBRAF
SCHEMBL7945390 0.79 BACE1 (0.59) 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 1/4885CBLB 3817/4885HDAC1 307/4885

“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.