SCHEMBL9924347

SCHEMBL9924347

C=C1CCc2cc(C(C)C)ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
KCNH2 Q12809 4/20 0.34
MAPT P10636 2/20 0.34
TBXAS1 P24557 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 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
SCHEMBL9924346 0.86 HPGD (0.39) KIF11HPGDGFERHSD17B10CHRNB2
SCHEMBL5523346 0.84 HPGD (0.40) KIF11HPGDGFERHSD17B10CHRNB2
SCHEMBL13986218 0.84 KIF11 (0.47) KIF11MAPTTBXAS1PDE3BPDE3A
SCHEMBL2611074 0.79 KIF11 (0.66) KIF11HPGDGFERHSD17B10KCNH2
SCHEMBL25893429 0.77 GFER (0.34) KIF11HPGDGFERHSD17B10MAPT
SCHEMBL12994517 0.77 HTR5A (0.45) MAPTLMNAMEN1CYP3A4KMT2A
SCHEMBL9924217 0.74 HPGD (0.40) KIF11HPGDGFERHSD17B10CHRNB2
SCHEMBL13524341 0.74 KIF11 (0.46) KIF11HPGDHSD17B10MAPTMEN1
SCHEMBL14827616 0.73 HPGD (0.43) KIF11HPGDGFERHSD17B10CHRNB2
SCHEMBL14804034 0.73 HPGD (0.37) KIF11HPGDGFERHSD17B10CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-11-14 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
US-8212041-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-03 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 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 (6 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A KIF11 4502/4885HPGD 1406/4885GFER 2963/4885
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET KIF11 3936/4885HPGD 43/4885GFER 1976/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A KIF11 4502/4885HPGD 1406/4885GFER 2963/4885
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET KIF11 3936/4885HPGD 43/4885GFER 1976/4885
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET KIF11 3488/4885HPGD 478/4885GFER 3313/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB KIF11 3692/4885HPGD 3644/4885GFER 3190/4885

“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.