SCHEMBL3762339

SCHEMBL3762339

CCOc1ccccc1-c1cnc2nc(N)nc(OCC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.44
DHFR P00374 1/20 0.44
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.39
PDE5A O76074 1/20 0.38
AGPAT2 O15120 1/20 0.37
PDE3A Q14432 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.37
STAT3 P40763 1/20 0.37
NCOA2 Q15596 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4452427 0.93 HSP90AA1 (0.46) NOS1DHFRADORA2AALDH1A1KDM4E
SCHEMBL3766518 0.91 MGMT (0.47) NOS1
SCHEMBL3760633 0.90 MAOB (0.44) NOS1DHFRADORA2AADORA1MAOB
SCHEMBL3755480 0.89 NOS1 (0.40) NOS1DHFRMAOB
SCHEMBL3769692 0.88 NOS1 (0.44) NOS1ALDH1A1
SCHEMBL3760969 0.86 L3MBTL1 (0.47) NOS1AGPAT2
SCHEMBL3752631 0.86 NOS1 (0.43) NOS1ALDH1A1KDM4ERXFP1
SCHEMBL3760449 0.86 NOS1 (0.44) NOS1ADORA2AALDH1A1
SCHEMBL3765833 0.85 NOS1 (0.53) NOS1DHFR
SCHEMBL3758132 0.85 PDE1B (0.47) NOS1

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 NOS1 2154/4885DHFR 10/4885ADORA2A 1898/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885DHFR 10/4885ADORA2A 1898/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885DHFR 10/4885ADORA2A 1898/4885

“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.