SCHEMBL3760937

SCHEMBL3760937

Nc1nc(N2CCOCC2)c2nc(-c3ccccc3C(F)(F)F)cnc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.68
CNR2 P34972 3/20 0.49
CYP1A2 P05177 3/20 0.48
ALOX15 P16050 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
CYP2D6 P10635 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTPN1 P18031 1/20 0.42
PIK3CA P42336 6/20 0.42
PIK3CD O00329 3/20 0.42
MTOR P42345 3/20 0.42

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
SCHEMBL3757090 0.87 NOS1 (0.59) NOS1ALDH1A1LMNAPIK3CAPIK3CD
SCHEMBL3761859 0.86 NOS1 (0.72) NOS1CNR2CYP1A2MAPK1PIK3CA
SCHEMBL3760913 0.85 NOS1 (0.73) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3759317 0.84 NOS1 (0.72) NOS1CNR2ALDH1A1MAPK1HSD17B10
SCHEMBL3759363 0.84 NOS1 (0.72) NOS1CNR2CYP1A2ALOX15CYP3A4
SCHEMBL3767250 0.83 NOS1 (0.71) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3760190 0.82 NOS1 (0.66) NOS1CNR2PIK3CAPIK3CDMTOR
SCHEMBL3760492 0.82 NOS1 (0.66) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3761831 0.81 NOS1 (0.68) NOS1CNR2ALDH1A1PIK3CAPIK3CD
SCHEMBL3759517 0.81 NOS1 (0.68) NOS1CNR2CYP1A2ALOX15CYP3A4

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-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 2154/4885CNR2 4049/4885CYP1A2 686/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885CNR2 4049/4885CYP1A2 686/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885CNR2 4049/4885CYP1A2 686/4885

“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.