SCHEMBL5121628

SCHEMBL5121628

Fc1ccc(-c2ccc3nc(NCc4ccc(-c5csnn5)cc4)nc(NCC(F)(F)F)c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
ADORA2A P29274 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
MPO P05164 1/20 0.35
NTRK1 P04629 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
RORC P51449 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33

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
SCHEMBL5115971 0.90 MAPT (0.46) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL15698681 0.85 TP53 (0.42) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5122262 0.84 TP53 (0.38) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5112341 0.81 PTGS2 (0.48) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5120754 0.81 LRRK2 (0.41) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5112273 0.81 LRRK2 (0.41) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5114922 0.80 TP53 (0.38) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5122839 0.80 CCNE1 (0.47) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5114566 0.80 PTGS2 (0.46) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5122195 0.79 CTNNB1 (0.42) PTGS2PTGS1

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP PTPN1 1885/4885TP53 1223/4885MAPT 3290/4885

“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.