SCHEMBL7939899

SCHEMBL7939899

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.50
HCRTR1 O43613 1/20 0.50
PPARG P37231 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RXFP1 Q9HBX9 2/20 0.46
THRB P10828 2/20 0.46
MAPT P10636 1/20 0.46
BACE1 P56817 2/20 0.43

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 0.93 DGAT1 (0.49) DGAT1HCRTR1PPARGNCOR2RAB9A
SCHEMBL7939895 0.92 RXFP1 (0.51) DGAT1HCRTR1PPARGNCOR2RAB9A
SCHEMBL7933483 0.92 RAB9A (0.43) DGAT1HCRTR1PPARGNCOR2RAB9A
SCHEMBL7944704 0.92 RAB9A (0.54) DGAT1RAB9ANPC1PTGDR2KMT2A
SCHEMBL7933478 0.91 RAB9A (0.53) DGAT1HCRTR1RAB9ANPC1MEN1
SCHEMBL7942889 0.90 NPC1 (0.54) DGAT1RAB9ANPC1PTGDR2MEN1
SCHEMBL7939896 0.87 BACE1 (0.54) DGAT1HCRTR1PPARGNCOR2RAB9A
SCHEMBL7946785 0.87 RAB9A (0.50) DGAT1HCRTR1PPARGNCOR2RAB9A
SCHEMBL7934111 0.84 RAB9A (0.44) RAB9ANPC1PTGDR2KMT2ARXFP1
SCHEMBL7943391 0.81 MEN1 (0.46) RAB9ANPC1MEN1KMT2AMAPT

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 3 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
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP 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 DGAT1 3937/4885HCRTR1 1057/4885PPARG 4623/4885

“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.