SCHEMBL6134095

SCHEMBL6134095

CCCC(=O)Nc1ncc(-c2ccc(=O)n(C(C)C)n2)c(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.57
ADORA2A P29274 7/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADORA3 P0DMS8 3/20 0.41
MERTK Q12866 1/20 0.39
TP53 P04637 1/20 0.39
ADORA2B P29275 1/20 0.38
NTRK1 P04629 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6134588 0.90 ADORA1 (0.48) ADORA1ADORA2AALDH1A1KDM4EADORA3
SCHEMBL6134956 0.88 ADORA1 (0.43) ADORA1ALDH1A1KDM4EHPGDCYP2C19
SCHEMBL6133749 0.87 TP53 (0.44) ADORA1ALDH1A1KDM4EGAAHPGD
SCHEMBL6134592 0.86 ADORA1 (0.47) ADORA1ADORA2AALDH1A1ADORA3MERTK
SCHEMBL6134310 0.85 GAA (0.45) ADORA1ADORA2AALDH1A1KDM4ECYP1A2
SCHEMBL6134405 0.85 KDM4E (0.40) ADORA1ADORA2AALDH1A1KDM4EHPGD
SCHEMBL6135441 0.85 POLB (0.47) ADORA1MERTKTP53NTRK1
SCHEMBL6133427 0.83 LMNA (0.46) ADORA1ADORA2AADORA3
SCHEMBL6135183 0.83 MERTK (0.42) ADORA1ADORA2AKDM4EMERTKTP53
SCHEMBL6134129 0.82 ADORA2A (0.48) ADORA1ADORA2AALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ALDH1A1 801/4885

“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.