SCHEMBL1790702

SCHEMBL1790702

[2H]C([2H])([2H])C([2H])([2H])Oc1ccc(-c2ccc3nc(NCc4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.34
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
BRS3 P32247 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
SCHEMBL12613543 0.91 ADORA2A (0.35) LRRK2SYKAURKBHDAC1HDAC6
SCHEMBL12613505 0.90 TRPV3 (0.35) LRRK2SYKAURKBHDAC1HDAC6
SCHEMBL1789633 0.87 PTGES (0.33) LRRK2SYKAURKBHDAC1HDAC6
SCHEMBL1794686 0.86 DGAT1 (0.37) LRRK2SYKAURKBHDAC1HDAC6
SCHEMBL1792547 0.85 DGAT1 (0.34) LRRK2SYKAURKBHDAC1HDAC6
SCHEMBL5116589 0.83 KDM4E (0.38)
SCHEMBL1792727 0.81 DGAT1 (0.35) LRRK2SYKHDAC1HDAC6
SCHEMBL12613662 0.81 LRRK2 (0.33) LRRK2SYKHDAC1HDAC6BRS3
SCHEMBL1791339 0.80 ADORA2A (0.34) LRRK2SYKBRS3
SCHEMBL1792315 0.80 LRRK2 (0.33) LRRK2SYKAURKBHDAC1HDAC6

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 4 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-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 LRRK2 3847/4885SYK 3677/4885AURKB 2928/4885

“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.