SCHEMBL3752916

SCHEMBL3752916

Nc1nc(OCC2CC2)c2nc(-c3ccc(F)cc3)cnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.47
NOS1 P29475 10/20 0.46
CDK2 P24941 5/20 0.44
CCNA2 P20248 3/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNA1 P78396 2/20 0.41
MPO P05164 1/20 0.40
CCNB2 O95067 1/20 0.40
MAPK3 P27361 1/20 0.40
CLK1 P49759 1/20 0.40
CDK5 Q00535 1/20 0.40
PIN1 Q13526 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
MAP3K5 Q99683 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL3752926 0.95 CDK2 (0.47) PIK3CGNOS1CDK2CCNA2CDK1
SCHEMBL4408579 0.83 NOS1 (0.50) PIK3CGNOS1MPOPIK3CAPIK3CB
SCHEMBL3610322 0.82 PDE5A (0.40) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL4794948 0.82 MET (0.45) NOS1CDK2ALOX5APFEN1PIK3CA
SCHEMBL3762293 0.81 NOS1 (0.48) PIK3CGNOS1MPOALOX5APFEN1
SCHEMBL3760588 0.81 NOS1 (0.48) PIK3CGNOS1CDK2CCNA2CDK1
SCHEMBL3755491 0.80 NOS1 (0.55) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3758436 0.80 NOS1 (0.50) PIK3CGNOS1CDK2CCNA2CDK1
SCHEMBL3760777 0.80 NOS1 (0.47) PIK3CGNOS1MPO
SCHEMBL3769948 0.80 NOS1 (0.47) PIK3CGNOS1CDK2CCNA2CDK1

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-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 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
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 PIK3CG 2660/4885NOS1 2154/4885CDK2 326/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 PIK3CG 2660/4885NOS1 2154/4885CDK2 326/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 PIK3CG 2660/4885NOS1 2154/4885CDK2 326/4885

“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.