SCHEMBL3766437

SCHEMBL3766437

CC(C)Oc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.79
ADK P55263 3/20 0.46
GAK O14976 1/20 0.44
PIK3CA P42336 3/20 0.40
MTOR P42345 2/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
YES1 P07947 1/20 0.40
PIM1 P11309 1/20 0.40
MAPK1 P28482 1/20 0.40
KDR P35968 1/20 0.40
HIPK1 Q86Z02 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CD O00329 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
SCHEMBL3755734 0.89 NOS1 (1.00) NOS1ADKGAKPIK3CAABL1
SCHEMBL4462330 0.87 NOS1 (0.81) NOS1ADKGAKMAPK1MAPT
Hydrochloric Acid SCHEMBL6484401 0.87 NOS1 (0.96) NOS1ADKGAKPIK3CAABL1
SCHEMBL3752607 0.86 NOS1 (0.74) NOS1ADKGAKPIK3CAMTOR
SCHEMBL4451655 0.85 NOS1 (0.78) NOS1ADKGAKPIK3CAABL1
SCHEMBL4450139 0.85 NOS1 (0.78) NOS1ADKGAKPIK3CAMAPK1
SCHEMBL4450316 0.85 NOS1 (0.82) NOS1ADKGAKPIK3CAMTOR
SCHEMBL3765844 0.85 NOS1 (0.82) NOS1ADKGAKPIK3CAMTOR
SCHEMBL3763691 0.84 NOS1 (0.82) NOS1ADKGAKPIK3CAMTOR
SCHEMBL4458120 0.84 NOS1 (0.80) NOS1ADKGAKPIK3CAABL1

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 2154/4885ADK 2266/4885GAK 2047/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885GAK 2047/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885GAK 2047/4885

“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.