SCHEMBL19829076

SCHEMBL19829076

CNC(C)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ADORA1 P30542 5/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA2B P29275 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PDGFRB P09619 2/20 0.36
XDH P47989 1/20 0.36
CHEK1 O14757 1/20 0.36
RET P07949 1/20 0.36
PIM1 P11309 1/20 0.36
PDGFRA P16234 1/20 0.36
GSK3B P49841 1/20 0.36
RPS6KA3 P51812 1/20 0.36
LIMK1 P53667 1/20 0.36
CDK5 Q00535 1/20 0.36
TYRO3 Q06418 1/20 0.36
MAPK14 Q16539 1/20 0.36
LRRK2 Q5S007 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL19824617 0.85 ADORA1 (0.38) TDP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL12971765 0.85 ADORA1 (0.36) TDP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL21258707 0.85 ADORA1 (0.36) TDP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1505410 0.85 ADORA1 (0.36) TDP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL20015462 0.85 KDM4E (0.38) TDP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL12971746 0.84 TDP1 (0.38) TDP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1505321 0.84 TDP1 (0.38) TDP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL10119510 0.84 NPC1 (0.39) ADORA1ADORA2AALDH1A1XDHGSK3B
SCHEMBL19824644 0.83 PDGFRB (0.39) TDP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1293548 0.83 AR (0.33) PDGFRBGSK3B

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
EP-3262030-B1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ELUXADOLINE ALLERGAN HOLDINGS UNLIMITED COMPANY (IE) 2019-09-11 EP disclosed
US-20180029994-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ELUXADOLINE ALLERGAN HOLDINGS UNLIMITED COMPANY (IE) 2018-02-01 US 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-20180029994-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ELUXADOLINE OPRM1, ELP1, ELAVL1 TDP1 349/4885ADORA1 1234/4885ADORA3 1574/4885

“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.