SCHEMBL836744

SCHEMBL836744

CC(=O)n1ncc2cc(I)c(C)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
DAPK3 O43293 1/20 0.53
CSNK1A1 P48729 1/20 0.53
GSK3A P49840 1/20 0.53
LIMK1 P53667 1/20 0.53
IKBKE Q14164 1/20 0.53
MAPK14 Q16539 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
KMT2A Q03164 4/20 0.39
CREBBP Q92793 1/20 0.38
SLC22A12 Q96S37 1/20 0.35
MAPT P10636 1/20 0.35
ELANE P08246 1/20 0.35
CASP1 P29466 1/20 0.34
MEN1 O00255 3/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 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
SCHEMBL1542059 0.81 IKBKE (0.53) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL30073737 0.79 CHEK1 (0.51) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL21796520 0.79 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL21796872 0.77 IKBKE (0.53) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL5407783 0.77 CHEK1 (0.49) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL5413013 0.76 CHEK1 (0.48) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1541478 0.76 CHEK1 (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4143895 0.75 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1141640 0.75 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL11247683 0.75 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
CN-101611015-B Indazolyl ester and indazolyl amide derivatives for the treatment of glucocorticoid receptor mediated disorders ASTRAZENECA AB SE 2012-09-26 CN disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
CN-101611015-A Indazolyl ester and indazolyl amide derivatives for the treatment of glucocorticoid receptor mediated disorders ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO 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 (4 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 CHEK1 2958/4885AURKA 1080/4885DAPK3 2773/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CHEK1 2958/4885AURKA 1080/4885DAPK3 2773/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CHEK1 2958/4885AURKA 1080/4885DAPK3 2773/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CHEK1 2958/4885AURKA 1080/4885DAPK3 2773/4885

“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.