SCHEMBL1794686

SCHEMBL1794686

FC(F)(F)CNc1nc(NCc2ccc(-n3cncn3)cc2)nc2ccc(-c3ccc(OC4CC4)nc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.37
KCNH2 Q12809 7/20 0.35
SOAT1 P35610 3/20 0.35
ADORA2A P29274 3/20 0.33
LRRK2 Q5S007 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
SYK P43405 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
AURKB Q96GD4 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL1792547 0.97 DGAT1 (0.34) DGAT1KCNH2SOAT1ADORA2ALRRK2
SCHEMBL1792727 0.95 DGAT1 (0.35) DGAT1KCNH2SOAT1ADORA2ALRRK2
SCHEMBL12613662 0.92 LRRK2 (0.33) LRRK2SYKHDAC1HDAC6TBK1
SCHEMBL12613543 0.90 ADORA2A (0.35) ADORA2ALRRK2SYKHDAC1HDAC6
SCHEMBL1789633 0.88 PTGES (0.33) LRRK2SYKHDAC1HDAC6AURKB
SCHEMBL1794377 0.88 DGAT1 (0.35) DGAT1KCNH2SOAT1ADORA2APIK3CD
SCHEMBL12613505 0.87 TRPV3 (0.35) LRRK2SYKHDAC1HDAC6AURKB
SCHEMBL1790640 0.86 DGAT1 (0.33) DGAT1KCNH2SOAT1ADORA2APIK3CD
SCHEMBL1790702 0.86 LRRK2 (0.34) LRRK2SYKHDAC1HDAC6AURKB
SCHEMBL1790789 0.86 DGAT1 (0.34) DGAT1KCNH2SOAT1ADORA2APIK3CD

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 6 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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD DGAT1 4275/4885KCNH2 1865/4885SOAT1 4265/4885

“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.