Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL3755819

N.Nc1nc(C2CC2)c2nc(-c3ccc(F)cc3)cnc2n1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 11/20 0.50
PIK3CG P48736 4/20 0.48
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HRH2 P25021 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MET P08581 1/20 0.36
MAPK1 P28482 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL3755771 0.94 NOS1 (0.47) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3765370 0.81 NOS1 (0.45) NOS1PIK3CGKDM4EMETMAPK1
SCHEMBL20572287 0.79 PIK3CG (0.73) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4097056 0.77 HRH2 (0.40) HRH2HRH3KDM4EADORA2AADORA1
SCHEMBL3760493 0.77 PIK3CG (0.61) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL12997453 0.77 NOS1 (0.56) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3752916 0.76 PIK3CG (0.47) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3752926 0.74 CDK2 (0.47) NOS1PIK3CG
SCHEMBL3755491 0.74 NOS1 (0.55) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3761185 0.73 NOS1 (0.76) NOS1PIK3CGPIK3CAPIK3CBHDAC6

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 NOS1 2154/4885PIK3CG 2660/4885PIK3CA 2351/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CG 2660/4885PIK3CA 2351/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CG 2660/4885PIK3CA 2351/4885

“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.