Sugi Predict

Sugi Predict / Compounds / SCHEMBL1794804

SCHEMBL1794804

SCHEMBL1794804

C[C@@H](Nc1nc(NCC(F)(F)F)c2nc(-c3cccc(S(C)(=O)=O)c3)ccc2n1)c1ccc(-n2cncn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ GPR55 Q9Y2T6 2/20 0.34
▸ NR1H2 P55055 2/20 0.33
▸ NR1H3 Q13133 2/20 0.33
▸ NPR1 P16066 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ MAP4K4 O95819 3/20 0.33
▸ IKBKB O14920 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ PIK3CD O00329 2/20 0.30
▸ PIK3R1 P27986 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
SCHEMBL1794395 1.00 EGFR (0.34) EGFRPDE2AGPR55NR1H2NR1H3
SCHEMBL1789999 0.94 NR1H2 (0.34) PDE2ANR1H2NR1H3NPR1MAP4K4
SCHEMBL12613175 0.88 PTGS2 (0.36) NR1H2NR1H3PLK4GRM2PTGS2
SCHEMBL12611718 0.87 PDE2A (0.33) EGFRPDE2AGPR55NR1H2NR1H3
SCHEMBL12613108 0.86 SYK (0.37) PDE2ANR1H2NPR1
SCHEMBL1790697 0.85 PTK2 (0.41) EGFRGPR55NR1H2NR1H3NPR1
SCHEMBL1790696 0.85 PTK2 (0.41) EGFRGPR55NR1H2NR1H3NPR1
SCHEMBL1793498 0.85 MAT2A (0.32) —
SCHEMBL1790922 0.85 PTK2 (0.38) NR1H2NR1H3PLK4PTGS2
SCHEMBL1794521 0.85 NPR1 (0.36) NR1H2NR1H3NPR1PLK4MAP4K4

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 7 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
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 EGFR 3791/4885PDE2A 819/4885GPR55 1147/4885

“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.