SCHEMBL5108262

SCHEMBL5108262

O=C1C(O)CCN1c1ccc(-c2ccc3nc(NCc4ccc(F)cc4)nc(NCC(F)(F)F)c3n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.36
DNMT3A Q9Y6K1 3/20 0.36
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35
ADORA2A P29274 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
CTNNB1 P35222 3/20 0.35
TCF7L2 Q9NQB0 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIPE Q05469 2/20 0.34
PDE5A O76074 2/20 0.34
EHMT2 Q96KQ7 2/20 0.32
CCNE2 O96020 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
NTRK1 P04629 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
SCHEMBL5116243 0.90 PTGS2 (0.41) MAPTADORA2APTGS2PTGS1NTRK1
SCHEMBL5115971 0.83 MAPT (0.46) TP53MAPTADORA2ATDP1PTGS2
SCHEMBL5123288 0.82 ROCK2 (0.38) ROCK2DNMT3AMAPTPTGS2PTGS1
SCHEMBL5114922 0.82 TP53 (0.38) TP53MAPTADORA2ATDP1PTGS2
SCHEMBL5122084 0.80 HRH4 (0.42) MAPTSMN1; SMN2CCNA2CDK2CCNA1
SCHEMBL15698681 0.80 TP53 (0.42) TP53MAPTADORA2ATDP1PTGS2
SCHEMBL5112273 0.78 LRRK2 (0.41) TP53MAPTADORA2ATDP1PTGS2
SCHEMBL5120754 0.78 LRRK2 (0.41) TP53MAPTADORA2ATDP1PTGS2
SCHEMBL5116589 0.77 KDM4E (0.38) TP53MAPTADORA2ATDP1PTGS2
SCHEMBL5122262 0.77 TP53 (0.38) TP53MAPTADORA2ATDP1PTGS2

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 ROCK2 4669/4885DNMT3A 2770/4885TP53 1223/4885

“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.