SCHEMBL2973226

SCHEMBL2973226

CC1=C(C)c2cccc(Br)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK5 Q00535 1/20 0.40
ROCK1 Q13464 1/20 0.40
DYRK1A Q13627 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
ALDH1A1 P00352 2/20 0.34
TYR P14679 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL14501027 0.77 PIM1 (0.36) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL17287859 0.77 CDK5 (0.48) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL13905621 0.77 BCHE (0.32) ALDH1A1BCHEACHE
SCHEMBL2972021 0.76 ALDH1A1 (0.44) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL2969601 0.74 NPC1 (0.40) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL2973423 0.74 ALDH1A1 (0.36) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL2965298 0.74 PIM1 (0.34) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL2963720 0.72 ALDH1A1 (0.36) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL2966003 0.72 PIM1 (0.33) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL22810219 0.71 KEAP1 (0.36) PIM1CSNK1A1CDK5ROCK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569532-B2 Catalysts BOREALIS TECHNOLOGY OY (FI) 2013-10-29 US disclosed
US-8569532-B2 Catalysts BOREALIS TECHNOLOGY OY (FI) 2013-10-29 US disclosed
US-20120252993-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2012-10-04 US disclosed
US-20120252993-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2012-10-04 US disclosed
US-20100305286-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2010-12-02 US disclosed
US-20100305286-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2010-12-02 US disclosed
EP-2223944-A1 Process for producing semicrystalline propylene polymers Borealis AG (AT) 2010-09-01 EP disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-7667064-B2 high weight average molecular weight while having a relatively narrow molecular weight distribution, resulting in high strength polyolefin; e.g. dimethylsilandiyl(eta 5-2-methyl-4-bromoinden-1-yl)(N-tert-butylamido)titanium dichloride EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-02-23 US disclosed
WO-2009027075-A2 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2009-03-05 WO disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 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 (3 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 PIM1 4466/4885CSNK1A1 4303/4885CDK5 2133/4885
US-20120252993-A1 CATALYSTS CYP4F11, COXFA4, CYP2F1 PIM1 2670/4885CSNK1A1 2335/4885CDK5 2199/4885
US-20100305286-A1 CATALYSTS H1-2, CCNL2, H1-3 PIM1 675/4885CSNK1A1 1464/4885CDK5 1045/4885

“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.