SCHEMBL6133600

SCHEMBL6133600

CC(C)n1nc(-c2cnc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
NTRK1 P04629 13/20 0.42
HDAC1 Q13547 1/20 0.41
EPHX2 P34913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TP53 P04637 1/20 0.40
NTRK3 Q16288 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
SCHEMBL6134310 0.92 GAA (0.45) HDAC1EPHX2ADORA3ADORA2AADORA1
SCHEMBL6135802 0.91 HTT (0.48) GRM5TP53
SCHEMBL6134129 0.90 ADORA2A (0.48) GRM5HDAC1ADORA3ADORA2AADORA1
SCHEMBL6134147 0.89 KDM4E (0.48) GRM5HDAC1ADORA3ADORA2AADORA1
SCHEMBL6134239 0.88 KDM4E (0.51) ADORA3ADORA2AADORA1
SCHEMBL6134844 0.85 TP53 (0.36) GRM5NTRK1TP53NTRK3
SCHEMBL6133862 0.85 LMNA (0.45) HDAC1EPHX2ADORA3TP53
SCHEMBL6133749 0.84 TP53 (0.44) ADORA3ADORA1TP53
SCHEMBL6135441 0.83 POLB (0.47) NTRK1ADORA1TP53
SCHEMBL6134592 0.83 ADORA1 (0.47) ADORA3ADORA2AADORA1TP53

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 GRM5 270/4885NTRK1 4294/4885HDAC1 3029/4885

“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.