SCHEMBL7940504

SCHEMBL7940504

Cc1c(C(=O)Nc2ccc(F)c(CNc3cccnc3N)c2)sc2ccc(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
F10 P00742 3/20 0.40
BACE1 P56817 4/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
DGAT1 O75907 1/20 0.38
PDGFRB P09619 3/20 0.37
KDR P35968 3/20 0.37
ADORA2A P29274 1/20 0.36
CXCR2 P25025 1/20 0.36
CISD2 Q8N5K1 1/20 0.36
PDPK1 O15530 1/20 0.35
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL7945236 0.86 BACE1 (0.54) BACE1
SCHEMBL7942773 0.86 BACE1 (0.41) F10BACE1PDGFRBKDRCISD2
SCHEMBL7933483 0.83 RAB9A (0.43) PTGDR2BACE1DGAT1
SCHEMBL7940531 0.81 BACE1 (0.49) F10BACE1AURKAAURKBCHRNA7
SCHEMBL7944905 0.79 BACE1 (0.43) BACE1AURKAAURKBPDGFRBKDR
SCHEMBL7943356 0.79 BACE1 (0.51) BACE1AURKAAURKBHDAC4MEF2D
SCHEMBL7943474 0.78 BACE1 (0.43) BACE1AURKAAURKBPDPK1
SCHEMBL12302316 0.78 RAB9A (0.42) BACE1AURKAAURKBCHRNA7
SCHEMBL7940524 0.77 BACE1 (0.50) BACE1AURKAAURKBPDGFRBKDR
SCHEMBL7943475 0.77 BACE1 (0.47) BACE1AURKAAURKBPDPK1HDAC4

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 PTGDR2 3543/4885F10 3308/4885BACE1 1/4885

“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.