SCHEMBL3755502

SCHEMBL3755502

Nc1nc(N2CCOCC2)c2nc(-c3ccc(C(F)(F)F)cc3)cnc2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.74
ADK P55263 3/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CG P48736 2/20 0.42
GAK O14976 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MTOR P42345 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PIK3CD O00329 1/20 0.40
KCNH2 Q12809 1/20 0.39
AKT1 P31749 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
ROCK2 O75116 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
SCHEMBL3758149 0.89 NOS1 (0.74) NOS1ADKPIK3CAPIK3CGGAK
SCHEMBL3765478 0.89 NOS1 (0.67) NOS1ADKPIK3CAGAKMTOR
SCHEMBL3755637 0.88 NOS1 (0.72) NOS1ADKPIK3CAPIK3CGGAK
SCHEMBL3765844 0.88 NOS1 (0.82) NOS1ADKNPC1RAB9ARXFP1
SCHEMBL4450316 0.88 NOS1 (0.82) NOS1ADKPIK3CAPIK3CGGAK
SCHEMBL3765481 0.86 NOS1 (0.80) NOS1ADKPIK3CAPIK3CGGAK
SCHEMBL3760403 0.86 NOS1 (0.76) NOS1ADKPIK3CAPIK3CGGAK
SCHEMBL3762228 0.85 NOS1 (0.95) NOS1ADKPIK3CAPIK3CGGAK
SCHEMBL5508882 0.85 NOS1 (0.79) NOS1ADKNPC1RAB9APIK3CA
SCHEMBL4450556 0.85 NOS1 (0.79) NOS1ADKPIK3CAPIK3CGGAK

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 4 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

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 2266/4885NPC1 2360/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885NPC1 2360/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885NPC1 2360/4885

“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.