SCHEMBL2654719

SCHEMBL2654719

CC(=O)N1CCN(c2cccc(Nc3ccc(CC#N)cc3N)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.42
CCNA2 P20248 7/20 0.42
CDK2 P24941 7/20 0.42
CDK9 P50750 7/20 0.42
CDK1 P06493 4/20 0.42
CCNB1 P14635 4/20 0.42
CDK7 P50613 3/20 0.42
CCNH P51946 3/20 0.42
CCNA1 P78396 2/20 0.42
GFER P55789 5/20 0.41
JAK3 P52333 1/20 0.41
GAA P10253 4/20 0.40
MAPT P10636 4/20 0.40
ALOX15 P16050 4/20 0.40
ALOX12 P18054 4/20 0.40
MAPK1 P28482 3/20 0.40
CASP6 P55212 1/20 0.39
SETD2 Q9BYW2 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL2655224 0.86 CCNT1 (0.45) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2654638 0.85 MAPT (0.46) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL4202254 0.84 KDM4E (0.42) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2654981 0.84 SMN1; SMN2 (0.51) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL4200920 0.83 CDK2 (0.42) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2653555 0.82 NPC1 (0.49) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2655735 0.81 MAPT (0.48) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2655693 0.80 GAA (0.52) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2656292 0.79 LMNA (0.52) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL4199937 0.77 SCN9A (0.45) CCNT1CCNA2CDK2CDK9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 US disclosed
EP-1874735-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111517-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 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 (1 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-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex GABRB1, GABRB2, GABRB3 CCNT1 4531/4885CCNA2 4530/4885CDK2 1707/4885

“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.