SCHEMBL1789633

SCHEMBL1789633

FC(F)Oc1ccc(-c2ccc3nc(NCc4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.33
MAT2A P31153 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LRRK2 Q5S007 1/20 0.32
BRS3 P32247 1/20 0.32
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
BCDIN3D Q7Z5W3 1/20 0.31
MAPK10 P53779 2/20 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
SCHEMBL12613505 0.93 TRPV3 (0.35) PTGESMAT2AHDAC1HDAC6LRRK2
SCHEMBL12613543 0.90 ADORA2A (0.35) HDAC1HDAC6LRRK2BRS3SYK
SCHEMBL1794686 0.88 DGAT1 (0.37) HDAC1HDAC6LRRK2SYKAURKB
SCHEMBL1790702 0.87 LRRK2 (0.34) HDAC1HDAC6LRRK2BRS3SYK
SCHEMBL1792547 0.87 DGAT1 (0.34) HDAC1HDAC6LRRK2SYKAURKB
SCHEMBL5116589 0.85 KDM4E (0.38) MAPK10
SCHEMBL12613172 0.84 MAT2A (0.33) MAT2ALRRK2SYK
SCHEMBL1792727 0.83 DGAT1 (0.35) HDAC1HDAC6LRRK2SYK
SCHEMBL12613662 0.83 LRRK2 (0.33) HDAC1HDAC6LRRK2BRS3SYK
SCHEMBL1790637 0.82 PTGS2 (0.41) PTGESLRRK2

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 PTGES 414/4885MAT2A 544/4885HDAC1 2532/4885

“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.