Sugi Predict

Sugi Predict / Compounds / SCHEMBL1790922

SCHEMBL1790922

SCHEMBL1790922

CS(=O)(=O)c1cccc(-c2ccc3nc(NCc4cccc(-n5cncn5)c4)nc(NCC(F)(F)F)c3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 12/20 0.38
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ PDE5A O76074 2/20 0.34
▸ NR1H2 P55055 2/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ ULK1 O75385 2/20 0.33
▸ PTK2B Q14289 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PLK4 O00444 1/20 0.32

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
SCHEMBL12613175 0.93 PTGS2 (0.36) PTK2PTGS1PTGS2PDE5ANR1H2
SCHEMBL12652092 0.90 PDE5A (0.35) PTK2PTGS1PTGS2PDE5ASYK
SCHEMBL1789657 0.88 PTK2 (0.37) PTK2PTGS1PTGS2NR1H2NR1H3
SCHEMBL1790927 0.88 PDE5A (0.36) PTK2PTGS1PTGS2PDE5ANR1H2
SCHEMBL12611714 0.87 SYK (0.35) PTK2PTGS1PTGS2NR1H2SYK
SCHEMBL1790519 0.87 NR1H2 (0.36) PTGS1PTGS2NR1H2NR1H3HDAC1
SCHEMBL1792108 0.85 TP53 (0.38) PTGS1PTGS2PDE5AHDAC1HDAC6
SCHEMBL1794804 0.85 EGFR (0.34) PTGS2NR1H2NR1H3PLK4
SCHEMBL1794395 0.85 EGFR (0.34) PTGS2NR1H2NR1H3PLK4
SCHEMBL1789209 0.84 PTK2 (0.50) PTK2PTGS1PTGS2PDE5ANR1H2

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 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

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 PTK2 4809/4885PTGS1 598/4885PTGS2 491/4885

“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.