SCHEMBL7948010

SCHEMBL7948010

Cc1ccc(-c2nccnc2C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 1/20 0.38
HTT P42858 3/20 0.36
JAK3 P52333 1/20 0.36
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAP3K14 Q99558 1/20 0.35
MCL1 Q07820 1/20 0.34
ALPL P05186 1/20 0.34
CA9 Q16790 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL29536871 0.77 ABL1 (0.35) ABL1ALDH1A1KMT2AJAK3KDM4E
SCHEMBL2057113 0.76 CTSK (0.39) ABL1MAPTNPC1USP2ALDH1A1
SCHEMBL10263741 0.76 TDP1 (0.42) ABL1MAPTNPC1ALDH1A1MEN1
SCHEMBL16805042 0.75 ABL1 (0.49) ABL1ALDH1A1LMNAKDM4EGAA
SCHEMBL984761 0.74 MCL1 (0.46) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL7949835 0.73 MAPK14 (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL12320567 0.72 MAPK14 (0.44) PTGS2
SCHEMBL21147856 0.72 DYRK1A (0.58) MAPTNPC1USP2RAB9A
SCHEMBL15730888 0.72 CCNB2 (0.43) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL15730117 0.72 MKNK1 (0.51) ABL1NPC1PTGS2

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
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

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 ABL1 3972/4885MAPT 1096/4885NPC1 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.