SCHEMBL6134844

SCHEMBL6134844

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
NTRK1 P04629 10/20 0.35
GRM5 P41594 1/20 0.35
PTGER4 P35408 2/20 0.34
NTRK3 Q16288 1/20 0.34
CCKAR P32238 2/20 0.34
CCKBR P32239 2/20 0.34
F2 P00734 1/20 0.33
F12 P00748 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL6134738 0.91 ADORA3 (0.39) TP53
SCHEMBL6134384 0.90 KMT2A (0.40) TP53
SCHEMBL6133995 0.89 TP53 (0.38) TP53NTRK1GRM5F2
SCHEMBL6134200 0.89 POLB (0.39) TP53F2
SCHEMBL6135302 0.87 ALDH1A1 (0.37) TP53CCKARF2
SCHEMBL6133600 0.85 GRM5 (0.43) TP53NTRK1GRM5NTRK3
SCHEMBL6133753 0.84 TP53 (0.38) TP53
SCHEMBL6133485 0.79 ALDH1A1 (0.44) TP53
SCHEMBL6133461 0.77 ADORA1 (0.43)
SCHEMBL6134310 0.76 GAA (0.45) TP53

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 TP53 2834/4885NTRK1 4294/4885GRM5 270/4885

“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.