SCHEMBL3848615

SCHEMBL3848615

CC(C)(C)[C@@H](NC[C@H](F)CN)c1nc(-c2cccc(F)c2)cn1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
ICMT O60725 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36
KIF11 P52732 4/20 0.36
TRPV3 Q8NET8 1/20 0.35
BRD4 O60885 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
THRB P10828 1/20 0.33
SDHB P21912 1/20 0.33
CDK9 P50750 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MCTS1 Q9ULC4 1/20 0.32
CHRM4 P08173 1/20 0.32
ADORA1 P30542 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL2426406 0.95 TLR8 (0.39) TLR8ICMTTRPV3BRD4CNR1
SCHEMBL3854400 0.91 BRD4 (0.38) TLR8KIF11BRD4SDHB
SCHEMBL3856066 0.90 MAPT (0.40) KIF11BRD4SDHBADORA1HDAC1
SCHEMBL3851400 0.89 TLR8 (0.42) TLR8TRPV3CNR1CNR2SDHB
SCHEMBL2425066 0.86 KIF11 (0.44) GABRA1GABRA2KIF11
SCHEMBL14079783 0.83 GABRA1 (0.33) TLR8ICMTGABRA1GABRA2TRPV3
SCHEMBL2424583 0.83 TLR8 (0.37) TLR8ICMTGABRA1GABRA2KIF11
SCHEMBL2427045 0.83 TLR8 (0.37) TLR8ICMTGABRA1GABRA2KIF11
SCHEMBL3851291 0.82 GABRA1 (0.38) TLR8ICMTGABRA1GABRA2TRPV3
SCHEMBL11886663 0.82 GABRA1 (0.37) TLR8ICMTGABRA1GABRA2TRPV3

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 16 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
EP-1765789-A1 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 Vaccines and Diagnostics, Inc. (US) 2007-03-28 EP claimed
US-20060009472-A1 Substituted imidazole derivatives CHIRON CORPORATION 2006-01-12 US claimed
WO-2006002236-A1 N- (1- (1-BENZYL -4-PHENYL-1H-IMIDAZOL-2-YL) -2,2-DYMETHYLPROPYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-01-05 WO 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 TLR8 1690/4885ICMT 295/4885GABRA1 566/4885
US-20090258016-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC TLR8 1690/4885ICMT 295/4885GABRA1 566/4885
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC TLR8 1690/4885ICMT 295/4885GABRA1 566/4885

“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.