SCHEMBL3766547

SCHEMBL3766547

CCOc1nc(N)nc2ncc(-c3cc(Cl)ccc3Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
AGPAT2 O15120 7/20 0.42
HTR2B P41595 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHFR P00374 3/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MPO P05164 1/20 0.38
NOS1 P29475 2/20 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
SCHEMBL3757233 0.92 MAPT (0.48) PTPN1AGPAT2KDM4EMAPTTDP1
SCHEMBL3762341 0.91 AGPAT2 (0.42) AGPAT2KDM4EMAPTTDP1DHFR
SCHEMBL3761275 0.87 AGPAT2 (0.40) AGPAT2KDM4EHSP90AA1HSP90AB1MPO
SCHEMBL3760969 0.86 L3MBTL1 (0.47) PTPN1AGPAT2HSP90AA1HSP90AB1MPO
SCHEMBL3761388 0.83 NOS1 (0.50) NOS1
SCHEMBL3760895 0.83 MPO (0.40) PTPN1KDM4EMAPTTDP1HSP90AA1
SCHEMBL11911418 0.82 KDM4E (0.46) PTPN1AGPAT2HTR2BPDE4DKDM4E
SCHEMBL4450439 0.82 NOS1 (0.46) DHFRNOS1
SCHEMBL3760491 0.81 PIK3CG (0.49) DHFRMPONOS1
SCHEMBL3755307 0.81 PTPN1 (0.44) PTPN1MPONOS1

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 PTPN1 2905/4885AGPAT2 3435/4885HTR2B 3082/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 PTPN1 2905/4885AGPAT2 3435/4885HTR2B 3082/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 PTPN1 2905/4885AGPAT2 3435/4885HTR2B 3082/4885

“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.