SCHEMBL12706604

SCHEMBL12706604

c1ccc(-c2cnc(N3CCN(c4ncccn4)CC3)cc2-c2ccncc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.69
MAPK14 Q16539 6/20 0.69
MAPK11 Q15759 4/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
SLC6A7 Q99884 3/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 2/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR1A P08908 1/20 0.41
HTR3A P46098 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1753135 0.82 MAPK14 (1.00) CSNK1DMAPK14MAPK11MAPTLMNA
SCHEMBL1752939 0.82 MAPK14 (1.00) CSNK1DMAPK14MAPK11MAPTLMNA
SCHEMBL9976281 0.77 CSNK1D (0.57) CSNK1DMAPK14MAPK11MAPTLMNA
SCHEMBL8908253 0.76 CSNK1D (0.66) CSNK1DMAPK14MAPK11MAPTLMNA
Tt-301 SCHEMBL529969 0.75 CSNK1D (0.60) CSNK1DMAPK14MAPK11MAPTLMNA
SCHEMBL1753099 0.75 CSNK1D (0.60) CSNK1DMAPK14MAPK11MAPTLMNA
SCHEMBL12706599 0.74 CSNK1D (0.54) CSNK1DMAPK14MAPTLMNASLC6A7
SCHEMBL5010343 0.74 CSNK1D (0.67) CSNK1DMAPK14MAPK11MAPTLMNA
Tt-301 SCHEMBL9998818 0.74 CSNK1D (0.59) CSNK1DMAPK14MAPK11MAPTLMNA
Tt-301 SCHEMBL300506 0.74 CSNK1D (0.59) CSNK1DMAPK14MAPK11MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919485-B2 Protein kinase targeted therapeutics NORTHWESTERN UNIVERSITY (US) 2011-04-05 US disclosed
US-20080051410-A1 Protein Kinase Targeted Therapeutics NORTHWESTERN UNIVERSITY (US) 2008-02-28 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-20080051410-A1 Protein Kinase Targeted Therapeutics MAP3K1, MAP3K6, MAPK1 CSNK1D 89/4885MAPK14 55/4885MAPK11 45/4885

“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.