SCHEMBL1690362

SCHEMBL1690362

CCc1cc(CN)ccc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
BACE1 P56817 1/20 0.41
HSPA5 P11021 1/20 0.41
PSIP1 O75475 1/20 0.37
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
PLG P00747 2/20 0.33
KLK1 P06870 2/20 0.33
KLK6 Q92876 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KLKB1 P03952 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE2A O00408 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL19289122 0.86 HSPA5 (0.48) BACE1HSPA5TAAR1PDE2ACA2
SCHEMBL18717437 0.85 CSNK2A1 (0.41) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL26581110 0.85 CSNK2A1 (0.36) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL1690583 0.79 LOXL2 (0.42) CSNK2A1TAAR1LOXL2HTR2A
SCHEMBL1696358 0.77 CSNK2A1 (0.49) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL28276729 0.76 CSNK2A2 (0.37) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL25041795 0.76 PRKCI (0.40) HSPA5GAAHTR2A
SCHEMBL10256123 0.76 PDE2A (0.41) CSNK2A1HRH3PDE2ALOXL2
SCHEMBL30279132 0.76 PRKCI (0.40) HSPA5GAAHTR2A
SCHEMBL14864128 0.75 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331693-A1 GSPT1 COMPOUNDS AND METHODS OF USE OF THE NOVEL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2023-10-19 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 CSNK2A1 1076/4885CSNK2A2 1333/4885CSNK2B 1628/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 CSNK2A1 1076/4885CSNK2A2 1333/4885CSNK2B 1628/4885
US-20230331693-A1 GSPT1 COMPOUNDS AND METHODS OF USE OF THE NOVEL COMPOUNDS GSPT1, GSS, GSPT2 CSNK2A1 2877/4885CSNK2A2 3389/4885CSNK2B 3594/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 CSNK2A1 1076/4885CSNK2A2 1333/4885CSNK2B 1628/4885
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 CSNK2A1 1076/4885CSNK2A2 1333/4885CSNK2B 1628/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 CSNK2A1 1076/4885CSNK2A2 1333/4885CSNK2B 1628/4885

“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.