SCHEMBL3757126

SCHEMBL3757126

CCOc1nc(N)nc2ncc(-c3cccc(C(=O)NCCO)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.52
FYN P06241 12/20 0.46
LIMK1 P53667 1/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PRKD3 O94806 1/20 0.43
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
GPR52 Q9Y2T5 1/20 0.41
NOS1 P29475 1/20 0.41

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
SCHEMBL3765175 0.86 ATR (0.49) MAP4K4PIK3CAPIK3CBPIK3CGHDAC6
SCHEMBL3758232 0.85 PIK3CG (0.47) PIK3CAPIK3CBPIK3CGHDAC6NOS1
SCHEMBL3766368 0.85 PIK3CG (0.49) FYNPIK3CAPIK3CBPIK3CGHDAC6
SCHEMBL3763077 0.83 NPC1 (0.49) PIK3CAPIK3CBPIK3CGHDAC6NOS1
SCHEMBL3757180 0.83 MAP4K4 (0.42) MAP4K4PIK3CAPIK3CBPIK3CGHDAC6
SCHEMBL3762280 0.82 PIK3CG (0.47) FYNPIK3CAPIK3CBPIK3CGHDAC6
SCHEMBL3770218 0.82 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGHDAC6NOS1
SCHEMBL3760265 0.81 PIK3CG (0.45) PIK3CAPIK3CBPIK3CGHDAC6NOS1
SCHEMBL20985861 0.80 PIK3CG (0.44) PIK3CAPIK3CGHDAC6NOS1
SCHEMBL3760516 0.80 PIK3CG (0.50) FYNPIK3CAPIK3CBPIK3CGHDAC6

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 MAP4K4 2799/4885FYN 4208/4885LIMK1 4581/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 MAP4K4 2799/4885FYN 4208/4885LIMK1 4581/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 MAP4K4 2799/4885FYN 4208/4885LIMK1 4581/4885

“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.