SCHEMBL3851291

SCHEMBL3851291

CC(C)(C)[C@@H](NCCC1(N)CC1)c1nc(-c2cccc(F)c2)cn1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRA2 P47869 1/20 0.38
TLR8 Q9NR97 1/20 0.37
ICMT O60725 2/20 0.33
BRD4 O60885 1/20 0.32
CHRM4 P08173 1/20 0.32
HPGDS O60760 1/20 0.31
SIGMAR1 Q99720 4/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
THRB P10828 1/20 0.31
OPRD1 P41143 1/20 0.31
RAD52 P43351 1/20 0.30

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
SCHEMBL3856026 0.91 BRD4 (0.36) GABRA1GABRA2TLR8BRD4
SCHEMBL2427045 0.83 TLR8 (0.37) GABRA1GABRA2TLR8ICMTBRD4
SCHEMBL2424583 0.83 TLR8 (0.37) GABRA1GABRA2TLR8ICMTBRD4
SCHEMBL14715147 0.83 CNR2 (0.34) GABRA1GABRA2TLR8ICMTCHRM4
SCHEMBL3848615 0.82 TLR8 (0.39) GABRA1GABRA2TLR8ICMTBRD4
SCHEMBL11886663 0.81 GABRA1 (0.37) GABRA1GABRA2TLR8ICMTBRD4
SCHEMBL2429557 0.79 TLR8 (0.38) TLR8ICMTBRD4TRPV3
SCHEMBL2426109 0.79 TLR8 (0.38) TLR8ICMTBRD4TRPV3
SCHEMBL11886664 0.78 TLR8 (0.45) GABRA1GABRA2TLR8ICMTBRD4
SCHEMBL2426406 0.78 TLR8 (0.39) TLR8ICMTBRD4TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US claimed
EP-1765789-B1 N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-02-27 EP claimed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US claimed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 US claimed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 US claimed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 US claimed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US disclosed
EP-1765789-B1 N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-02-27 EP disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US disclosed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 US disclosed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 US disclosed
US-20060009472-A1 Substituted imidazole derivatives CHIRON CORPORATION 2006-01-12 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-20060009472-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC GABRA1 566/4885GABRA2 532/4885TLR8 1690/4885
US-20090258016-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC GABRA1 566/4885GABRA2 532/4885TLR8 1690/4885
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC GABRA1 566/4885GABRA2 532/4885TLR8 1690/4885

“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.