SCHEMBL3760895

SCHEMBL3760895

CCOc1nc(N)nc2ncc(-c3ccc(F)cc3Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.40
HRH4 Q9H3N8 1/20 0.37
NOS1 P29475 5/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CLK1 P49759 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
PIK3CA P42336 1/20 0.34
CYP17A1 P05093 1/20 0.34
MAPK14 Q16539 1/20 0.34
PIK3CG P48736 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL3765540 0.90 MPO (0.38) MPONOS1MAPTPIK3CAPIK3CG
SCHEMBL3764007 0.89 TLR8 (0.39) MPONOS1PIK3CAPIK3CG
SCHEMBL3757233 0.88 MAPT (0.48) MPONOS1KDM4EMAPTTDP1
SCHEMBL3755253 0.87 GRIN2B (0.39) MPONOS1PIK3CAPIK3CG
SCHEMBL3761085 0.86 MPO (0.43) MPONOS1KDM4EMAPTTDP1
SCHEMBL3760969 0.85 L3MBTL1 (0.47) MPONOS1HSP90AA1HSP90AB1MAPK14
SCHEMBL3761952 0.84 NOS1 (0.45) MPONOS1
SCHEMBL4779102 0.84 ALOX5AP (0.35) MPONOS1PIK3CAPIK3CGPTPN1
SCHEMBL3766547 0.83 PTPN1 (0.44) MPONOS1KDM4EMAPTTDP1
SCHEMBL4519931 0.83 MAPT (0.42) MPOHRH4KDM4EMAPTTDP1

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 MPO 2288/4885HRH4 1050/4885NOS1 2154/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 MPO 2288/4885HRH4 1050/4885NOS1 2154/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 MPO 2288/4885HRH4 1050/4885NOS1 2154/4885

“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.