SCHEMBL212029

SCHEMBL212029

CN(C(=O)NCc1ccccc1Cl)[C@H](COC(=O)Nc1cc2cc(F)ccc2cn1)CN1CCNC(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.34
GSK3B P49841 8/20 0.34
NTRK1 P04629 1/20 0.32
ADCY10 Q96PN6 2/20 0.32
WNT1 P04628 3/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
ALK Q9UM73 1/20 0.32
P2RX7 Q99572 1/20 0.31
ABL1 P00519 1/20 0.31
RAB9A P51151 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
SCHEMBL2724091 0.90 GSK3B (0.34) DYRK1AGSK3BWNT1P2RX7
SCHEMBL210704 0.88 DYRK1A (0.40) DYRK1AGSK3BWNT1ABL1
SCHEMBL210201 0.87 ADCY10 (0.35) ADCY10PDCD1CD274MAPK1ALDH1A1
SCHEMBL2758732 0.82 ALDH1A1 (0.35) MAPK1ALDH1A1P2RX7ABL1
SCHEMBL211931 0.82 ANO1 (0.36) MAPK1ALDH1A1ABL1RAB9A
SCHEMBL212032 0.81 ALDH1A1 (0.34) MAPK1ALDH1A1ABL1
SCHEMBL211736 0.81 ALDH1A1 (0.34) MAPK1ALDH1A1ABL1
SCHEMBL210944 0.80 SMN1; SMN2 (0.40) DYRK1AGSK3BWNT1MAPK1
SCHEMBL211154 0.80 ALDH1A1 (0.33) MAPK1ALDH1A1ABL1
SCHEMBL2725125 0.79 ABL1 (0.37) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 DYRK1A 4356/4885GSK3B 776/4885NTRK1 4561/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 DYRK1A 4356/4885GSK3B 776/4885NTRK1 4561/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 DYRK1A 4356/4885GSK3B 776/4885NTRK1 4561/4885

“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.