SCHEMBL3769692

SCHEMBL3769692

CCOc1nc(N)nc2ncc(-c3ccccc3C)nc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 12/20 0.44
MPO P05164 2/20 0.44
PTPN1 P18031 1/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
PRKDC P78527 1/20 0.38
ATR Q13535 1/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TPO P07202 1/20 0.36
CYP3A4 P08684 1/20 0.36
EPX P11678 1/20 0.36
MGMT P16455 1/20 0.36

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
SCHEMBL3762339 0.88 NOS1 (0.44) NOS1ALDH1A1
SCHEMBL3760969 0.86 L3MBTL1 (0.47) NOS1MPOPTPN1CCNA2CDK2
SCHEMBL3760449 0.86 NOS1 (0.44) NOS1ATRALDH1A1
SCHEMBL3752631 0.86 NOS1 (0.43) NOS1MPOATRNPC1ALDH1A1
SCHEMBL3758392 0.85 BRAF (0.45) NOS1MPO
SCHEMBL3765833 0.85 NOS1 (0.53) NOS1MPOATRTPOCYP3A4
SCHEMBL3760830 0.85 NOS1 (0.38) NOS1MPO
SCHEMBL3765405 0.85 ROCK2 (0.39) NOS1MPO
SCHEMBL4452427 0.85 HSP90AA1 (0.46) NOS1PTPN1ATRALDH1A1
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 2154/4885MPO 2288/4885PTPN1 2905/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MPO 2288/4885PTPN1 2905/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MPO 2288/4885PTPN1 2905/4885

“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.