SCHEMBL3761399

SCHEMBL3761399

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
PIK3CG P48736 2/20 0.44
NOS1 P29475 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ATR Q13535 4/20 0.43
KDM4E B2RXH2 2/20 0.43
PRNP P04156 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
XDH P47989 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
PRKDC P78527 1/20 0.39

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
SCHEMBL4781218 0.92 PIK3CA (0.41) PIK3CAPIK3CGNOS1MEN1KMT2A
SCHEMBL3767367 0.90 NOS1 (0.46) PIK3CAPIK3CGNOS1ATRMAPT
SCHEMBL3760630 0.88 PIK3CA (0.50) PIK3CAPIK3CGNOS1ADORA3
SCHEMBL3758126 0.87 JAK2 (0.47) PIK3CGNOS1MEN1KMT2AATR
SCHEMBL4452145 0.85 PIK3CG (0.47) PIK3CAPIK3CGNOS1ATR
SCHEMBL3765843 0.85 NOS1 (0.48) PIK3CAPIK3CGNOS1
SCHEMBL3766597 0.84 ATR (0.46) PIK3CGNOS1LMNAATRHPGD
SCHEMBL3769952 0.83 NOS1 (0.47) PIK3CAPIK3CGNOS1MAPTALDH1A1
SCHEMBL4522465 0.83 MEN1 (0.46) PIK3CAMEN1KMT2ATDP1LMNA
SCHEMBL3761237 0.83 PIK3CG (0.45) PIK3CAPIK3CGNOS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 US 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 PIK3CA 2351/4885PIK3CG 2660/4885NOS1 2154/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 PIK3CA 2351/4885PIK3CG 2660/4885NOS1 2154/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 PIK3CA 2351/4885PIK3CG 2660/4885NOS1 2154/4885

“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.