SCHEMBL7939895

SCHEMBL7939895

Cc1c(C(=O)Nc2ccc(F)c(CNc3cccnc3N)c2)oc2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.51
PKM P14618 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.50
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
CLK1 P49759 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BACE1 P56817 3/20 0.42
MAPT P10636 1/20 0.42
DGAT1 O75907 2/20 0.42
HCRTR1 O43613 1/20 0.42
PPARG P37231 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL7942886 0.92 DGAT1 (0.49) RXFP1RAB9ANPC1MEN1KMT2A
SCHEMBL7939899 0.92 DGAT1 (0.50) RXFP1PTGDR2RAB9ANPC1MEN1
SCHEMBL7933483 0.92 RAB9A (0.43) RXFP1PKMPTGDR2RAB9ANPC1
SCHEMBL7944704 0.91 RAB9A (0.54) RXFP1PTGDR2RAB9ANPC1POLB
SCHEMBL7933478 0.91 RAB9A (0.53) RXFP1RAB9ANPC1MEN1KMT2A
SCHEMBL7942889 0.90 NPC1 (0.54) RXFP1PTGDR2RAB9ANPC1MEN1
SCHEMBL7944977 0.86 RXFP1 (0.50) RXFP1PKMPTGDR2RAB9ANPC1
SCHEMBL7939891 0.86 BACE1 (0.56) RXFP1PKMRAB9ANPC1MEN1
SCHEMBL7939890 0.84 NPC1 (0.46) RXFP1PTGDR2RAB9ANPC1MEN1
SCHEMBL7934111 0.83 RAB9A (0.44) RXFP1PTGDR2RAB9ANPC1POLB

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 RXFP1 2539/4885PKM 3320/4885PTGDR2 3543/4885

“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.