SCHEMBL3766438

SCHEMBL3766438

Nc1ncnc2ncc(-c3ccc(F)cc3)nc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.63
NOS1 P29475 1/20 0.55
ADK P55263 3/20 0.52
HPGD P15428 2/20 0.50
PTK2B Q14289 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PPARG P37231 1/20 0.49
MCL1 Q07820 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
MET P08581 1/20 0.44
MAP4K4 O95819 3/20 0.43

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
SCHEMBL3799709 0.84 PIK3CG (0.62) PIK3CGNOS1ADKHPGDPTK2B
SCHEMBL29427710 0.81 NOS1 (0.48) PIK3CGNOS1ADKHPGDPTK2B
SCHEMBL22714176 0.81 NOS1 (0.48) PIK3CGNOS1ADKHPGDPTK2B
SCHEMBL12997467 0.81 NOS1 (0.48) PIK3CGNOS1ADKHPGDPTK2B
SCHEMBL20572287 0.81 PIK3CG (0.73) PIK3CGNOS1KDM4E
SCHEMBL3765370 0.78 NOS1 (0.45) PIK3CGNOS1ADKHPGDPTK2B
SCHEMBL14302980 0.76 NOS1 (0.44) PIK3CGNOS1ADKHPGDPTK2B
SCHEMBL4523675 0.76 MAP4K4 (0.71) MAP4K4
SCHEMBL3755674 0.76 NOS1 (0.43) PIK3CGNOS1ADKHPGDPTK2B
SCHEMBL3760437 0.75 NOS1 (0.42) PIK3CGNOS1ADKHPGDPTK2B

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-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
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 2660/4885NOS1 2154/4885ADK 2266/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 PIK3CG 2660/4885NOS1 2154/4885ADK 2266/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 PIK3CG 2660/4885NOS1 2154/4885ADK 2266/4885

“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.