SCHEMBL1914971

SCHEMBL1914971

CNc1nc(-c2ccccc2-c2ccc(C)nc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
NPC1 O15118 10/20 0.48
RAB9A P51151 10/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TGFBR1 P36897 1/20 0.40

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
SCHEMBL1916768 0.85 AR (0.50) ARNPC1RAB9AMEN1KMT2A
SCHEMBL1915793 0.85 NPC1 (0.54) ARNPC1RAB9AMEN1KMT2A
SCHEMBL1915120 0.83 AR (0.48) ARNPC1RAB9AMEN1KMT2A
SCHEMBL1915039 0.83 AR (0.48) ARNPC1RAB9AMEN1KMT2A
SCHEMBL1915580 0.81 CYP19A1 (0.49) ARNPC1RAB9AMEN1KMT2A
SCHEMBL1915608 0.81 AR (0.56) ARNPC1RAB9AMEN1KMT2A
SCHEMBL1915221 0.80 AR (0.47) ARNPC1RAB9AMEN1KMT2A
SCHEMBL1914575 0.79 CNR2 (0.46) ARNPC1RAB9AMEN1KMT2A
SCHEMBL1915500 0.79 NPC1 (0.72) ARNPC1RAB9AMEN1KMT2A
SCHEMBL1915320 0.78 AR (0.43) ARNPC1RAB9AMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC AR 2226/4885NPC1 28/4885RAB9A 1681/4885

“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.