SCHEMBL6071963

SCHEMBL6071963

CC(C)N1CCC(c2c(C#N)c(N)nc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.51
WHR1 P49842 1/20 0.43
EHMT2 Q96KQ7 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GBA1 P04062 1/20 0.38
SLC2A1 P11166 1/20 0.38
HTR4 Q13639 3/20 0.38
EGFR P00533 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PIK3CD O00329 2/20 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
SCHEMBL6071518 0.87 HTR3A (0.45) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL6071957 0.81 NSD2 (0.51) NSD2WHR1EHMT2KDM4EALDH1A1
SCHEMBL6072028 0.76 DRD3 (0.46) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL6071662 0.70 CACNA2D1 (0.43) NSD2KDM4EALDH1A1MAPTTSHR
SCHEMBL6071996 0.70 ADORA2A (0.46) NSD2KDM4EALDH1A1HPGDMEN1
SCHEMBL6253855 0.68 KDM4E (0.56) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL30315435 0.68 KDM4E (0.56) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL6071513 0.68 ACHE (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL6252164 0.68 KDM4E (0.60) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL6071754 0.68 ADORA2A (0.44) KDM4EALDH1A1HPGDMEN1MAPT

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 NSD2 3593/4885WHR1 4173/4885EHMT2 2457/4885

“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.