SCHEMBL5114922

SCHEMBL5114922

Fc1ccc(-c2ccc3nc(NCc4ccc(N5CCCC5)cc4)nc(NCC(F)(F)F)c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
MAPT P10636 4/20 0.38
ADORA2A P29274 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 2/20 0.37
STAT6 P42226 1/20 0.36
GAA P10253 4/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAOA P21397 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL5122084 0.92 HRH4 (0.42) MAPTSMN1; SMN2ALOX15GAAHRH3
SCHEMBL5115971 0.89 MAPT (0.46) TP53MAPTADORA2ATDP1ALDH1A1
SCHEMBL15698681 0.84 TP53 (0.42) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5116589 0.83 KDM4E (0.38) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5122262 0.83 TP53 (0.38) TP53MAPTADORA2ATDP1ALDH1A1
SCHEMBL5108262 0.82 ROCK2 (0.36) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5112341 0.80 PTGS2 (0.48) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5112273 0.80 LRRK2 (0.41) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5120754 0.80 LRRK2 (0.41) TP53MAPTADORA2ATDP1SMN1; SMN2
SCHEMBL5121628 0.80 PTPN1 (0.40) TP53MAPTADORA2ATDP1SMN1; SMN2

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 TP53 1223/4885MAPT 3290/4885ADORA2A 260/4885

“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.