SCHEMBL6586126

SCHEMBL6586126

CN(C)c1cc(N)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
NCF1 P14598 2/20 0.59
ACHE P22303 2/20 0.53
S1PR1 P21453 1/20 0.49
OPRD1 P41143 1/20 0.49
HTR3A P46098 1/20 0.46
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 6/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 5/20 0.45
GLA P06280 4/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
NQO2 P16083 1/20 0.45

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
SCHEMBL6489480 0.79 CYP1A2 (0.60) TSHRNCF1ACHES1PR1OPRD1
SCHEMBL6213496 0.78 S1PR1 (0.49) TSHRNCF1S1PR1OPRD1ALDH1A1
SCHEMBL6457843 0.78 S1PR1 (0.52) TSHRNCF1S1PR1OPRD1ALDH1A1
SCHEMBL6489476 0.78 S1PR1 (0.49) TSHRNCF1S1PR1OPRD1ALDH1A1
SCHEMBL8366862 0.76 KDM4E (0.53) TSHRNCF1S1PR1OPRD1ALDH1A1
SCHEMBL7760642 0.75 S1PR1 (0.47) TSHRNCF1S1PR1OPRD1BACE1
SCHEMBL29557788 0.75 NCF1 (1.00) NCF1ACHEHTR3ABACE1ALDH1A1
SCHEMBL1120035 0.75 NCF1 (1.00) NCF1ACHEHTR3ABACE1ALDH1A1
SCHEMBL29690490 0.74 NCF1 (0.64) TSHRNCF1ACHEHTR3ABACE1
SCHEMBL323374 0.74 NCF1 (0.64) TSHRNCF1ACHEHTR3ABACE1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296628-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CUREVAC AG (DE) 2022-09-22 US disclosed
EP-4013880-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CureVac AG (DE) 2022-06-22 EP disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 US disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 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 (2 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-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 TSHR 2415/4885NCF1 1921/4885ACHE 4643/4885
US-20220296628-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES TLR3, EIF2AK2, STING1 TSHR 1136/4885NCF1 905/4885ACHE 4829/4885

“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.