SCHEMBL3759274

SCHEMBL3759274

CCOc1nc(N)nc2ncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.49
KCNH2 Q12809 2/20 0.48
CCNE2 O96020 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
TLR7 Q9NYK1 1/20 0.44
LRRK2 Q5S007 1/20 0.44
MKNK1 Q9BUB5 5/20 0.43
MKNK2 Q9HBH9 5/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
DHFR P00374 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3756747 0.90 ATR (0.52) ATRTLR7LRRK2DHFRSMN1; SMN2
SCHEMBL3755222 0.90 NOS1 (0.50) ATRKCNH2LRRK2MKNK1MKNK2
SCHEMBL3770082 0.90 KCNH2 (0.50) ATRKCNH2MKNK1MKNK2
SCHEMBL3755444 0.82 PIK3CG (0.47) ATR
SCHEMBL4452145 0.82 PIK3CG (0.47) ATR
SCHEMBL3763569 0.81 ATR (0.46) ATRTLR7
SCHEMBL3755372 0.81 NPC1 (0.47) DHFRNPC1ALDH1A1TP53RAB9A
SCHEMBL3769952 0.81 NOS1 (0.47) TLR7DHFRNPC1ALDH1A1TP53
SCHEMBL3752734 0.80 NOS1 (0.49) DHFRNPC1ALDH1A1RAB9A
SCHEMBL3764228 0.80 PRKDC (0.46) ATRMKNK1MKNK2DHFR

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-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US claimed
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 US claimed
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US disclosed
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 US disclosed
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 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 (3 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-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 ATR 2767/4885KCNH2 3481/4885CCNE2 447/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 ATR 2767/4885KCNH2 3481/4885CCNE2 447/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 ATR 2767/4885KCNH2 3481/4885CCNE2 447/4885

“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.