SCHEMBL1789680

SCHEMBL1789680

C[C@@H](Nc1nc(NCC(F)(F)F)c2nc(C#CC(C)(C)O)ccc2n1)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.36
CA1 P00915 5/20 0.36
CA9 Q16790 5/20 0.36
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CDK2 P24941 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
CLK1 P49759 1/20 0.33
RAB9A P51151 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
ADORA2B P29275 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
IDH1 O75874 1/20 0.31
CDK1 P06493 2/20 0.31
CDK4 P11802 2/20 0.31
KDR P35968 2/20 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
SCHEMBL1789681 1.00 CA2 (0.36) CA2CA1CA9CA12CA14
SCHEMBL1790194 0.93 CA2 (0.37) CA2CA1CA9CA12CA14
SCHEMBL1790193 0.93 CA2 (0.37) CA2CA1CA9CA12CA14
SCHEMBL1790415 0.90 CA2 (0.38) CA2CA1CA9CA12CA14
SCHEMBL1790414 0.90 CA2 (0.38) CA2CA1CA9CA12CA14
SCHEMBL1794031 0.87 CA2 (0.39) CA2CA1CA9CA12CA14
SCHEMBL1794032 0.87 CA2 (0.39) CA2CA1CA9CA12CA14
SCHEMBL12651766 0.87 CA2 (0.40) CA2CA1CA9CA12CA14
SCHEMBL1790013 0.86 CA1 (0.35) CA2CA1CA9CA12CA14
SCHEMBL1790473 0.86 CA1 (0.35) CA2CA1CA9CA12CA14

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 8 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
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
WO-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 WO 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 CA2 3079/4885CA1 4693/4885CA9 4364/4885

“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.