SCHEMBL3755736

SCHEMBL3755736

CCOC(=O)COc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.69
POLB P06746 1/20 0.42
ADK P55263 3/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
GAK O14976 1/20 0.39
NUDT1 P36639 1/20 0.39
FKBP1A P62942 2/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
MTOR P42345 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3762301 0.90 NOS1 (0.59) NOS1POLBALDH1A1KDM4EPIK3R1
SCHEMBL4462330 0.88 NOS1 (0.81) NOS1ADKALDH1A1HPGDKDM4E
SCHEMBL3765210 0.86 NOS1 (0.67) NOS1ADKALDH1A1HPGDKDM4E
SCHEMBL4451655 0.84 NOS1 (0.78) NOS1ADKPIK3CAGAKKMT2A
SCHEMBL4450139 0.84 NOS1 (0.78) NOS1ADKALDH1A1HPGDKDM4E
SCHEMBL3755533 0.83 NOS1 (0.76) NOS1ADKHSD17B10PIK3CAGAK
SCHEMBL3755734 0.82 NOS1 (1.00) NOS1ADKALDH1A1HPGDKDM4E
SCHEMBL4458120 0.82 NOS1 (0.80) NOS1ADKPIK3CAGAK
SCHEMBL3758424 0.81 NOS1 (0.63) NOS1POLBALDH1A1KDM4ETP53
SCHEMBL4460944 0.80 NOS1 (0.66) NOS1ALDH1A1KDM4ETP53MAPT

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 NOS1 2154/4885POLB 577/4885ADK 2266/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885POLB 577/4885ADK 2266/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885POLB 577/4885ADK 2266/4885

“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.