SCHEMBL3769680

SCHEMBL3769680

CC1CCC(Nc2ncnc3ncc(-c4ccc(F)cc4)nc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
CD38 P28907 1/20 0.43
MAP4K4 O95819 1/20 0.43
IRAK4 Q9NWZ3 3/20 0.41
STK17B O94768 1/20 0.41
TP53 P04637 1/20 0.39
GBA1 P04062 1/20 0.38
NOS1 P29475 1/20 0.38
PAK1 Q13153 1/20 0.38
MAPK14 Q16539 1/20 0.38
HDAC1 Q13547 1/20 0.37
CDK4 P11802 1/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36

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
SCHEMBL4799066 0.88 IRAK4 (0.40) ADORA3ADORA2AADORA1CD38MAP4K4
SCHEMBL3765370 0.74 NOS1 (0.45) STK17BNOS1CYP1A2CYP2C19HPGD
SCHEMBL12997467 0.72 NOS1 (0.48) NOS1CYP1A2CYP2C19HPGD
SCHEMBL3736466 0.71 GBA1 (0.45) ADORA3ADORA2AADORA1GBA1
SCHEMBL22714176 0.69 NOS1 (0.48) NOS1LMNACYP1A2CYP2C19HPGD
SCHEMBL29427710 0.69 NOS1 (0.48) NOS1LMNACYP1A2CYP2C19HPGD
SCHEMBL3766438 0.69 PIK3CG (0.63) MAP4K4NOS1CYP1A2CYP2C19HPGD
SCHEMBL24674165 0.69 MET (0.46) TP53NOS1MAPK14HDAC1LMNA
SCHEMBL29427592 0.69 MET (0.46) TP53NOS1MAPK14HDAC1LMNA
SCHEMBL24674301 0.68 MET (0.38) MAP4K4STK17BTP53NOS1MAPK14

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 6 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
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 ADORA3 1106/4885ADORA2A 1898/4885ADORA1 1737/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 ADORA3 1106/4885ADORA2A 1898/4885ADORA1 1737/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 ADORA3 1106/4885ADORA2A 1898/4885ADORA1 1737/4885

“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.