SCHEMBL2056791

SCHEMBL2056791

Cc1cccc(-c2nccnc2C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.44
MAPK14 Q16539 3/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TGFBR1 P36897 2/20 0.42
AR P10275 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 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
SCHEMBL1370255 0.82 MAPK14 (0.53) MAPK14NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL21722565 0.80 ADORA2B (0.49) MAPK14HPGDKDM4EADORA2AADORA1
SCHEMBL2056993 0.80 HPGD (0.56) LRRK2HPGDKDM4EALDH1A1MEN1
SCHEMBL985600 0.79 ERBB2 (0.56) LRRK2MAPK14NPC1RAB9AHPGD
SCHEMBL10427642 0.78 ERBB2 (0.53) LRRK2MAPK14SMN1; SMN2KDM4EALDH1A1
SCHEMBL2057113 0.78 CTSK (0.39) LRRK2MAPK14NPC1RAB9AALDH1A1
SCHEMBL7949835 0.77 MAPK14 (0.49) MAPK14NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL19935819 0.72 MAP4K4 (0.44) LRRK2NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL5666985 0.72 CTSS (0.46) LRRK2NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL28822967 0.72 ADORA1 (0.56) LRRK2MAPK14RAB9AHPGDKDM4E

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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR LRRK2 1413/4885MAPK14 3187/4885NPC1 588/4885

“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.