SCHEMBL3760449

SCHEMBL3760449

CCOc1nc(N)nc2ncc(-c3ccccc3O)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PIK3CG P48736 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK10 P53779 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA2A P29274 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL3762339 0.86 NOS1 (0.44) NOS1ADORA2AALDH1A1
SCHEMBL3769692 0.86 NOS1 (0.44) NOS1ALDH1A1ATR
SCHEMBL3752631 0.85 NOS1 (0.43) NOS1ALDH1A1ATRTLR8
SCHEMBL3760969 0.85 L3MBTL1 (0.47) NOS1ATR
SCHEMBL3760760 0.85 ALOX5AP (0.42) NOS1MAPK10ATR
SCHEMBL4452427 0.84 HSP90AA1 (0.46) NOS1MAPTHPGDTSHRADORA2A
SCHEMBL3765833 0.84 NOS1 (0.53) NOS1ATRTLR8
SCHEMBL3758132 0.84 PDE1B (0.47) NOS1
SCHEMBL3760429 0.83 NOS1 (0.42) NOS1ALDH1A1ATR
SCHEMBL3755689 0.83 NOS1 (0.42) NOS1ALDH1A1ATR

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 NOS1 2154/4885MEN1 4389/4885KMT2A 2086/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MEN1 4389/4885KMT2A 2086/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MEN1 4389/4885KMT2A 2086/4885

“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.