SCHEMBL210201

SCHEMBL210201

CN(C(=O)NCc1ccccc1Cl)[C@@H](CCN1CCNC(=O)C1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADCY10 Q96PN6 2/20 0.35
THRB P10828 3/20 0.34
CD274 Q9NZQ7 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PDCD1 Q15116 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.33
HTR2A P28223 1/20 0.33
TNIK Q9UKE5 1/20 0.33
CTSK P43235 1/20 0.33
TACR1 P25103 2/20 0.32
BDKRB1 P46663 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 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
SCHEMBL212309 0.90 BDKRB1 (0.34) ALDH1A1MAPK1CTSKTACR1BDKRB1
SCHEMBL212790 0.88 BDKRB1 (0.39) ALDH1A1EGFRCTSKTACR1BDKRB1
SCHEMBL212029 0.87 DYRK1A (0.34) ADCY10CD274ALDH1A1PDCD1MAPK1
SCHEMBL212789 0.87 SMN1; SMN2 (0.42) ALDH1A1BDKRB1MAPT
SCHEMBL4344068 0.86 TACR1 (0.35) ALDH1A1MAPK1CTSKTACR1BDKRB1
SCHEMBL213694 0.86 PHGDH (0.34) ALDH1A1MAPK1CTSKTACR1BDKRB1
SCHEMBL213637 0.85 BDKRB1 (0.35) ALDH1A1MAPK1CTSKTACR1BDKRB1
SCHEMBL210462 0.85 ALDH1A1 (0.44) ALDH1A1CTSKMAPTNPC1
SCHEMBL2723081 0.83 NPC1 (0.39) ALDH1A1MAPK1CTSKNPC1
SCHEMBL27810797 0.82 NPC1 (0.39) ALDH1A1MAPK1CTSKMAPTNPC1

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 16 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-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-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-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-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
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 ADCY10 2490/4885THRB 2371/4885CD274 4495/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ADCY10 2490/4885THRB 2371/4885CD274 4495/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ADCY10 2490/4885THRB 2371/4885CD274 4495/4885

“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.