SCHEMBL3757233

SCHEMBL3757233

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
PTPN1 P18031 1/20 0.45
MPO P05164 2/20 0.41
AGPAT2 O15120 4/20 0.40
BACE1 P56817 1/20 0.40
CRHR1 P34998 1/20 0.39
LMNA P02545 1/20 0.39
NOS1 P29475 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CLK1 P49759 1/20 0.38
DHFR P00374 1/20 0.37

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
SCHEMBL3766547 0.92 PTPN1 (0.44) MAPTKDM4ETDP1HSP90AA1HSP90AB1
SCHEMBL3762341 0.89 AGPAT2 (0.42) MAPTKDM4ETDP1MPOAGPAT2
SCHEMBL3760895 0.88 MPO (0.40) MAPTKDM4ETDP1HSP90AA1HSP90AB1
SCHEMBL3760969 0.87 L3MBTL1 (0.47) HSP90AA1HSP90AB1PTPN1MPOAGPAT2
SCHEMBL3761085 0.85 MPO (0.43) MAPTKDM4ETDP1MPOLMNA
SCHEMBL3761388 0.84 NOS1 (0.50) NOS1
SCHEMBL3767203 0.83 NOS1 (0.38) KDM4EMPONOS1
SCHEMBL3755307 0.82 PTPN1 (0.44) PTPN1MPONOS1L3MBTL1
SCHEMBL3760491 0.82 PIK3CG (0.49) MPONOS1NPC1RAB9ADHFR
SCHEMBL4524543 0.82 MAPT (0.55) MAPTKDM4ETDP1HSP90AA1HSP90AB1

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-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
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 MAPT 4683/4885KDM4E 763/4885TDP1 1277/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 MAPT 4683/4885KDM4E 763/4885TDP1 1277/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 MAPT 4683/4885KDM4E 763/4885TDP1 1277/4885

“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.