SCHEMBL6071996

SCHEMBL6071996

CC(c1c(C#N)c(N)nc2ccccc12)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 8/20 0.44
GAA P10253 5/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.44
GLA P06280 3/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCF1 P14598 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP7 P55210 2/20 0.39
CASP1 P29466 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6071662 0.86 CACNA2D1 (0.43) KDM4EALDH1A1NCF1MAPTCYP1A2
SCHEMBL6071989 0.81 HTT (0.44) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL6071754 0.81 ADORA2A (0.44) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL6071941 0.75 KDM4E (0.47) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL6071751 0.74 HTT (0.41) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL6071998 0.72 ALDH1A1 (0.51) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL6071963 0.70 NSD2 (0.51) ADORA2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6253855 0.68 KDM4E (0.56) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL30315435 0.68 KDM4E (0.56) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL6252164 0.68 KDM4E (0.60) ADORA2AKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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 (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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ADORA2A 2729/4885KDM4E 1032/4885ALDH1A1 3975/4885

“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.