SCHEMBL3764018

SCHEMBL3764018

CC(C)N1CCN(c2ccc(-c3cnc4nc(N)nc(N5CCOCC5)c4n3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.69
ADK P55263 3/20 0.53
ALK Q9UM73 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LRRK2 Q5S007 1/20 0.42
PIK3CA P42336 4/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.41
GAK O14976 1/20 0.41
ATR Q13535 1/20 0.40
ABL1 P00519 2/20 0.40
NTRK1 P04629 2/20 0.40
YES1 P07947 2/20 0.40
KDR P35968 2/20 0.40
PIK3R1 P27986 2/20 0.40
PIM1 P11309 1/20 0.40
MAPK1 P28482 1/20 0.40
HIPK1 Q86Z02 1/20 0.40

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
SCHEMBL3765844 0.91 NOS1 (0.82) NOS1ADKPIK3CAMTORPRKDC
SCHEMBL3752607 0.85 NOS1 (0.74) NOS1ADKPIK3CAMTORGAK
SCHEMBL3761382 0.85 NOS1 (0.72) NOS1ADKPRKDCGAKATR
SCHEMBL4450316 0.84 NOS1 (0.82) NOS1ADKPIK3CAMTORGAK
SCHEMBL3757158 0.83 NOS1 (0.70) NOS1ADKPIK3CAMTORGAK
SCHEMBL3766437 0.83 NOS1 (0.79) NOS1ADKPIK3CAMTORGAK
SCHEMBL5508882 0.82 NOS1 (0.79) NOS1ADKPIK3CAMTORGAK
SCHEMBL4450556 0.82 NOS1 (0.79) NOS1ADKALKPIK3CAMTOR
SCHEMBL3762228 0.82 NOS1 (0.95) NOS1ADKPIK3CAMTORGAK
SCHEMBL5317835 0.82 NOS1 (1.00) NOS1ADKPIK3CAMTORABL1

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 NOS1 2154/4885ADK 2266/4885ALK 4681/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885ALK 4681/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885ALK 4681/4885

“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.