SCHEMBL3761085

SCHEMBL3761085

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.38
DHFR P00374 5/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOS1 P29475 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3765511 0.89 ALOX5AP (0.40) MPODHFRNOS1MAPTLMNA
SCHEMBL3760895 0.86 MPO (0.40) MPONOS1MAPTKDM4ETDP1
SCHEMBL3757233 0.85 MAPT (0.48) MPODHFRNOS1MAPTLMNA
SCHEMBL4527421 0.84 MAPT (0.40) MPONPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL3763805 0.83 NOS1 (0.47) MPONOS1
SCHEMBL3760969 0.82 L3MBTL1 (0.47) MPOCYP3A4NOS1L3MBTL1
SCHEMBL3759542 0.82 PIK3CG (0.46) MPODHFRCYP1A2CYP3A4CYP2C19
SCHEMBL3752767 0.81 NOS1 (0.40) MPODHFRNOS1
SCHEMBL3766547 0.80 PTPN1 (0.44) MPODHFRNOS1MAPTKDM4E
SCHEMBL3767255 0.79 PTPN1 (0.47) NOS1

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 2288/4885NPSR1 4064/4885DHFR 10/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 MPO 2288/4885NPSR1 4064/4885DHFR 10/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 MPO 2288/4885NPSR1 4064/4885DHFR 10/4885

“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.