SCHEMBL2489141

SCHEMBL2489141

CCOC(=O)CNCc1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.51
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
PPID Q08752 1/20 0.46
LTA4H P09960 4/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
VNN1 O95497 3/20 0.44
DPP7 Q9UHL4 1/20 0.44
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
FFAR1 O14842 1/20 0.42
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30909992 0.89 SCN8A (0.51) SCN8ALTA4HERCC1ERCC4VNN1
SCHEMBL6163414 0.83 LOXL2 (0.49) SCN8APPIDLTA4HSMN1; SMN2
SCHEMBL29860036 0.83 SCN8A (0.47) SCN8AERCC1ERCC4VNN1DPP7
SCHEMBL5725267 0.82 PDCD1 (0.54) PDCD1CD274ERCC1ERCC4MEP1A
SCHEMBL30088453 0.82 PDCD1 (0.54) PDCD1CD274ERCC1ERCC4MEP1A
SCHEMBL11954384 0.82 KMT2A (0.53) PPIDLTA4HSMN1; SMN2
Benzonitrile SCHEMBL9811793 0.80 SMN1; SMN2 (0.53) PDCD1CD274PPIDLTA4HPOLB
SCHEMBL2774523 0.80 FFAR1 (0.52) SCN8APDCD1CD274ERCC1ERCC4
SCHEMBL6881434 0.80 FFAR1 (0.52) PDCD1CD274FFAR1CNR2POLB
SCHEMBL23703051 0.80 CYP1A2 (0.50) PPIDLTA4HSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-108290893-B Dihydroperidinone derivatives, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-01-05 CN 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
US-10172860-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
US-10172860-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
CN-108290893-A Dihydroperidinone derivatives, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2018-07-17 CN disclosed
US-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20130071354-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2013-03-21 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
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US 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 (6 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-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 SCN8A 2877/4885PDCD1 3840/4885CD274 2219/4885
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 SCN8A 2877/4885PDCD1 3840/4885CD274 2219/4885
US-10172860-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 SCN8A 2877/4885PDCD1 3840/4885CD274 2219/4885
US-11110091-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 SCN8A 2877/4885PDCD1 3840/4885CD274 2219/4885
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 SCN8A 2877/4885PDCD1 3840/4885CD274 2219/4885
US-20130071354-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 SCN8A 2877/4885PDCD1 3840/4885CD274 2219/4885

“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.