SCHEMBL3760980

SCHEMBL3760980

CCOC(=O)c1ccccc1-c1cnc2nc(N)nc(OCC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.44
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 3/20 0.40
HSP90AA1 P07900 1/20 0.40
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
HPGD P15428 2/20 0.39
ERN1 O75460 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3763402 0.92 ATR (0.46) NOS1ALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL3759836 0.89 NOS1 (0.42) NOS1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3769692 0.83 NOS1 (0.44) NOS1ALDH1A1NPC1RAB9AMAPK1
SCHEMBL3760449 0.82 NOS1 (0.44) NOS1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL3762339 0.81 NOS1 (0.44) NOS1ALDH1A1KDM4E
SCHEMBL3755372 0.81 NPC1 (0.47) NOS1ALDH1A1NPC1RAB9AMAPT
SCHEMBL3763077 0.80 NPC1 (0.49) NOS1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3760480 0.80 NOS1 (0.59) NOS1ALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL3752631 0.80 NOS1 (0.43) NOS1ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL3760969 0.80 L3MBTL1 (0.47) NOS1HSP90AA1L3MBTL1

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 2154/4885ALDH1A1 1548/4885HSD17B10 2621/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ALDH1A1 1548/4885HSD17B10 2621/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ALDH1A1 1548/4885HSD17B10 2621/4885

“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.