SCHEMBL5116589

SCHEMBL5116589

Fc1ccc(-c2ccc3nc(NCc4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
ADORA2A P29274 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
MAPK10 P53779 1/20 0.34
USP1 O94782 2/20 0.33
WDR48 Q8TAF3 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
NTRK1 P04629 1/20 0.32
POLB P06746 1/20 0.32
MAOA P21397 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
SCHEMBL1793422 0.91 KDM4E (0.38) KDM4EHSD17B10TSHRMAPK1TP53
SCHEMBL1792108 0.90 TP53 (0.38) KDM4EHSD17B10TSHRMAPK1TP53
SCHEMBL5115971 0.87 MAPT (0.46) KDM4EHSD17B10TSHRTP53MAPT
SCHEMBL5112744 0.86 GPR55 (0.38) KDM4EHSD17B10TSHRMAPK1MAPK10
SCHEMBL12611861 0.86 KDM4E (0.35) KDM4EHSD17B10TSHRMAPK1TP53
SCHEMBL12613543 0.85 ADORA2A (0.35) MAPTADORA2ASMN1; SMN2MAPK10CYP1A2
SCHEMBL1790309 0.85 KDM4E (0.36) KDM4EHSD17B10TSHRMAPK1TP53
SCHEMBL1789633 0.85 PTGES (0.33) MAPK10
SCHEMBL12613505 0.84 TRPV3 (0.35) TDP1MKNK1CCNE1CDK2TLR8
SCHEMBL13520303 0.84 CYP19A1 (0.31)

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-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
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP KDM4E 3976/4885HSD17B10 2574/4885TSHR 1736/4885

“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.