SCHEMBL1789891

SCHEMBL1789891

CC(Nc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)ccc2n1)c1cc(F)cc(-n2cncn2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR55 Q9Y2T6 2/20 0.34
ADORA2A P29274 2/20 0.33
ADORA2B P29275 1/20 0.33
GRK6 P43250 5/20 0.32
MAP4K4 O95819 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
NPR1 P16066 1/20 0.31
AURKA O14965 1/20 0.30
RPS6KB1 P23443 1/20 0.30

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
SCHEMBL5112744 0.91 GPR55 (0.38) KDM4ETSHRMAPK1HSD17B10GPR55
SCHEMBL1793422 0.85 KDM4E (0.38) KDM4ETSHRMAPK1HSD17B10ADORA2A
SCHEMBL5116589 0.81 KDM4E (0.38) KDM4ETSHRMAPK1HSD17B10ADORA2A
SCHEMBL1792108 0.79 TP53 (0.38) KDM4ETSHRMAPK1HSD17B10ADORA2A
SCHEMBL1791425 0.79 GPR55 (0.35) GPR55ADORA2AADORA2BGRK6ADORA3
SCHEMBL1794804 0.78 EGFR (0.34) HSD17B10GPR55MAP4K4NPR1
SCHEMBL1794395 0.78 EGFR (0.34) HSD17B10GPR55MAP4K4NPR1
SCHEMBL1789999 0.78 NR1H2 (0.34) HSD17B10MAP4K4NPR1
SCHEMBL12613108 0.77 SYK (0.37) NPR1
SCHEMBL1790309 0.77 KDM4E (0.36) KDM4ETSHRMAPK1HSD17B10ADORA2A

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
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US claimed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US claimed

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-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD KDM4E 3849/4885TSHR 2245/4885MAPK1 2045/4885

“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.