SCHEMBL3769900

SCHEMBL3769900

CCOC(=O)COc1cccc(-c2cnc3nc(N)nc(OCC)c3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.44
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
SQOR Q9Y6N5 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
NOS1 P29475 3/20 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
SCHEMBL3759892 0.88 NOS1 (0.47) PIK3CGMAPTGAASQORKDM4E
SCHEMBL3759384 0.88 PIK3CG (0.50) PIK3CGPIK3CAPIK3CBHDAC6MAPT
SCHEMBL3763077 0.84 NPC1 (0.49) PIK3CGPIK3CAPIK3CBHDAC6MAPT
SCHEMBL3755318 0.84 NOS1 (0.51) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3766368 0.82 PIK3CG (0.49) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3762301 0.82 NOS1 (0.59) PIK3CGF9F10PIK3CAPIK3CB
SCHEMBL3769759 0.81 MAOB (0.46) PIK3CGPIK3CAPIK3CBHDAC6FGFR1
SCHEMBL3766003 0.81 PIK3CG (0.44) PIK3CGPIK3CAPIK3CBHDAC6PDGFRB
SCHEMBL3758232 0.80 PIK3CG (0.47) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3755631 0.80 ATR (0.46) PIK3CGPIK3CAPIK3CBHDAC6NOS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 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
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 PIK3CG 2660/4885F9 1356/4885F10 2674/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 PIK3CG 2660/4885F9 1356/4885F10 2674/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 PIK3CG 2660/4885F9 1356/4885F10 2674/4885

“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.