SCHEMBL3765563

SCHEMBL3765563

COCCOc1ncnc2ncc(-c3ccc(F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.46
MET P08581 5/20 0.42
NOS1 P29475 3/20 0.41
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
XDH P47989 1/20 0.38
PIK3CG P48736 1/20 0.36
MIF P14174 1/20 0.36
KDM1A O60341 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PPARG P37231 1/20 0.34
MCL1 Q07820 1/20 0.34
PTK2B Q14289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 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
SCHEMBL3755674 0.86 NOS1 (0.43) METNOS1HPGDALDH1A1XDH
SCHEMBL4799066 0.84 IRAK4 (0.40) SQORUSP2CYP1A2CYP3A4
SCHEMBL3760777 0.83 NOS1 (0.47) SQORMETNOS1PIK3CG
SCHEMBL4525886 0.81 SQOR (0.46) SQORMIFKDM1A
SCHEMBL3759576 0.80 NOS1 (0.42) METNOS1HPGDALDH1A1XDH
SCHEMBL12997467 0.76 NOS1 (0.48) METNOS1HPGDALDH1A1XDH
SCHEMBL4795821 0.73 NOS1 (0.43) SQORMETNOS1HPGDALDH1A1
SCHEMBL3766438 0.73 PIK3CG (0.63) METNOS1HPGDPIK3CGCYP1A2
SCHEMBL22714176 0.73 NOS1 (0.48) METNOS1HPGDALDH1A1PIK3CG
SCHEMBL29427710 0.73 NOS1 (0.48) METNOS1HPGDALDH1A1PIK3CG

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 SQOR 226/4885MET 2516/4885NOS1 2154/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 SQOR 226/4885MET 2516/4885NOS1 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.