SCHEMBL3755533

SCHEMBL3755533

Nc1nc(N2CCOCC2)c2nc(-c3ccc(OCCO)cc3)cnc2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.76
ADK P55263 3/20 0.46
BCHE P06276 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44
PIK3CG P48736 1/20 0.42
GAK O14976 1/20 0.42
MET P08581 1/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
MTOR P42345 1/20 0.40
ABL1 P00519 2/20 0.38
NTRK1 P04629 2/20 0.38
YES1 P07947 2/20 0.38
KDR P35968 2/20 0.38
PIM1 P11309 1/20 0.38
MAPK1 P28482 1/20 0.38
HIPK1 Q86Z02 1/20 0.38
TSHR P16473 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
SCHEMBL4450139 0.91 NOS1 (0.78) NOS1ADKBCHEMAOAACHE
SCHEMBL4451655 0.91 NOS1 (0.78) NOS1ADKBCHEMAOAACHE
SCHEMBL4458120 0.90 NOS1 (0.80) NOS1ADKBCHEMAOAACHE
SCHEMBL4462330 0.89 NOS1 (0.81) NOS1ADKGAKMAPK1HSD17B10
SCHEMBL4451827 0.88 NOS1 (0.73) NOS1ADKBCHEMAOAACHE
SCHEMBL3755554 0.86 NOS1 (0.74) NOS1ADKPIK3CGGAKPIK3CA
SCHEMBL3755734 0.86 NOS1 (1.00) NOS1ADKGAKPIK3CAABL1
SCHEMBL3760307 0.86 NOS1 (0.73) NOS1ADKBCHEMAOAACHE
SCHEMBL4451350 0.85 NOS1 (0.76) NOS1ADKMAPK1TSHRHSD17B10
SCHEMBL4450556 0.85 NOS1 (0.79) NOS1ADKPIK3CGGAKPIK3CA

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 6 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

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 2266/4885BCHE 2336/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885BCHE 2336/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885BCHE 2336/4885

“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.