SCHEMBL2459810

SCHEMBL2459810

CCCCOc1nc(N)cc(O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
TLR8 Q9NR97 2/20 0.39
NOS2 P35228 1/20 0.38
LTA4H P09960 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR5A1 Q13285 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CDK2 P24941 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 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
SCHEMBL17584792 0.87 LTA4H (0.41) TLR8LTA4HNR5A1NPC1RAB9A
SCHEMBL11304283 0.84 MEN1 (0.35) TLR8NOS2CYP1A2NPC1RAB9A
SCHEMBL2459962 0.83 TLR7 (0.36) TLR7
SCHEMBL30657772 0.77 LTA4H (0.38) TLR8LTA4HCYP1A2NPC1RAB9A
SCHEMBL19295640 0.76 RAB9A (0.47) MCHR1TLR8NOS2LTA4HNR5A1
SCHEMBL11796953 0.75 NR5A1 (0.42) LTA4HNR5A1MEN1MAPTKMT2A
SCHEMBL17585439 0.75 TLR7 (0.41) MCHR1TLR8TLR7CYP3A4ADORA2A
SCHEMBL598441 0.74 CYP2D6 (0.43) MCHR1TLR8LTA4HCYP1A2CYP2C9
SCHEMBL17585442 0.74 LTA4H (0.40) LTA4HNR5A1NPC1RAB9AMAPT
SCHEMBL808604 0.74 CDK1 (0.47) MCHR1TLR8CYP1A2CYP2C9CYP2C19

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848375-B1 METHODS OF PREPARING INTERMEDIATES FOR TOLL-LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2023-12-27 EP disclosed
CN-115043840-A Methods for preparing TOLL-like receptor modulators 吉利德科学公司 2022-09-13 CN disclosed
CN-107074860-B Methods for preparing TOLL-like receptor modulators 吉利德科学公司 2022-07-15 CN disclosed
US-11110091-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2021-09-07 US disclosed
US-11110091-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2021-09-07 US disclosed
EP-3848375-A1 METHODS OF PREPARING INTERMEDIATES FOR TOLL-LIKE RECEPTOR MODULATORS Gilead Sciences, Inc. (US) 2021-07-14 EP disclosed
EP-3461828-B1 METHODS OF PREPARING TOLL-LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2019-10-24 US disclosed
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2019-10-24 US disclosed
EP-3461828-A2 METHODS OF PREPARING TOLL-LIKE RECEPTOR MODULATORS GILEAD SCIENCES, INC. (US) 2019-04-03 EP disclosed
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
CN-102272134-A Toll-like receptor modulators 2011-12-07 CN disclosed
EP-2364314-A1 MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2011-09-14 EP disclosed
WO-2010077613-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-07-08 WO disclosed
WO-2010077613-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-07-08 WO disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 US 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-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 MCHR1 1938/4885TLR8 8/4885NOS2 1188/4885
US-11110091-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 MCHR1 1938/4885TLR8 8/4885NOS2 1188/4885
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 MCHR1 1938/4885TLR8 8/4885NOS2 1188/4885

“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.