SCHEMBL3756747

SCHEMBL3756747

CCOc1nc(N)nc2ncc(-c3cccc(C(=O)N4CCN(C)CC4)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.52
ADORA2A P29274 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
FYN P06241 1/20 0.45
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CA P42336 3/20 0.43
ADORA1 P30542 2/20 0.43
MTOR P42345 2/20 0.43
DHFR P00374 1/20 0.43
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LRRK2 Q5S007 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
SCHEMBL3759274 0.90 ATR (0.49) ATRPOLBSMN1; SMN2DHFRLRRK2
SCHEMBL3766368 0.83 PIK3CG (0.49) ATRFYNPIK3CAPIK3CBPIK3CG
SCHEMBL3758232 0.82 PIK3CG (0.47) PIK3CADHFRPIK3CBPIK3CGHDAC6
SCHEMBL3763077 0.82 NPC1 (0.49) MAPTSMN1; SMN2PIK3CAPIK3CBPIK3CG
SCHEMBL3762280 0.81 PIK3CG (0.47) ATRFYNPIK3CAPIK3CBPIK3CG
SCHEMBL3765785 0.80 NOS1 (0.63) ATRADORA2AL3MBTL1KDM4EPIK3CA
SCHEMBL3770218 0.80 PIK3CA (0.46) ATRLMNASMN1; SMN2PIK3CAMTOR
SCHEMBL3755222 0.80 NOS1 (0.50) ATRLMNAMAPTMTORDHFR
SCHEMBL3770082 0.80 KCNH2 (0.50) ATR
SCHEMBL3760265 0.79 PIK3CG (0.45) PIK3CADHFRPIK3CBPIK3CGHDAC6

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-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
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (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 2767/4885ADORA2A 1898/4885L3MBTL1 1950/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 ATR 2767/4885ADORA2A 1898/4885L3MBTL1 1950/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 ATR 2767/4885ADORA2A 1898/4885L3MBTL1 1950/4885

“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.