SCHEMBL6134231

SCHEMBL6134231

CC(C)n1nc(C#Cc2cccc(C(F)(F)F)c2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.48
PDGFRB P09619 2/20 0.43
KDR P35968 2/20 0.43
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
BRAF P15056 1/20 0.41
PTGES O14684 2/20 0.40
FFAR1 O14842 1/20 0.39
PTPN1 P18031 1/20 0.39
TSHR P16473 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
SCHEMBL6134911 0.85 PTGDR2 (0.37) GRM5PDGFRBKDRPTGES
SCHEMBL6133204 0.84 ABL1 (0.48) GRM5ABL1
SCHEMBL6134123 0.81 GRM5 (0.52) GRM5ABL1
SCHEMBL6133993 0.75 FFAR1 (0.36) GRM5ABL1PTGESFFAR1
SCHEMBL30873473 0.72 GRM5 (0.58) GRM5PTGESFFAR1PTPN1TSHR
SCHEMBL6133285 0.70 GRM5 (0.43) GRM5KDRABL1
SCHEMBL6134347 0.68 BMPR1B (0.30)
SCHEMBL6133926 0.68 NPSR1 (0.44) TSHR
SCHEMBL4714641 0.68 GRM5 (0.64) GRM5
SCHEMBL6134284 0.68 GRM5 (0.51) GRM5ABL1FFAR1

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 270/4885PDGFRB 269/4885KDR 3090/4885

“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.