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SCHEMBL2726352

SCHEMBL2726352

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCCN1CCCN(CC(F)(F)F)CC1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.33
▸ DRD3 P35462 7/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ BDKRB1 P46663 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ HTR1A P08908 5/20 0.31
▸ HTR2A P28223 5/20 0.31
▸ HTR2C P28335 5/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ TERT O14746 2/20 0.31
▸ WNT1 P04628 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ FPR3 P25089 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ WNT3A P56704 1/20 0.30

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
SCHEMBL210972 0.98 DRD3 (0.33) AHCYDRD3KCNH2BDKRB1CTSK
SCHEMBL212386 0.92 GSK3B (0.35) DRD3KCNH2CTSKHTR1AHTR2A
SCHEMBL210692 0.92 GSK3B (0.35) DRD3KCNH2CTSKHTR1AHTR2A
SCHEMBL209817 0.90 DRD3 (0.34) AHCYDRD3KCNH2BDKRB1CTSK
SCHEMBL2725650 0.89 METAP1 (0.34) AHCYDRD3KCNH2MAPK1CTSK
SCHEMBL212205 0.89 MAPT (0.39) WNT1GSK3BDYRK1A
SCHEMBL2725077 0.89 TMEM97 (0.33) AHCYDRD3KCNH2MAPK1CTSK
SCHEMBL213282 0.88 MAPK1 (0.36) AHCYMAPK1CTSKHTR2AWNT1
SCHEMBL2728357 0.86 RIPK1 (0.31) DRD3KCNH2
SCHEMBL2728208 0.85 QPCT (0.31) DRD3KCNH2MAPK1CTSKGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 AHCY 2208/4885DRD3 4375/4885KCNH2 2875/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 AHCY 2208/4885DRD3 4375/4885KCNH2 2875/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 AHCY 2208/4885DRD3 4375/4885KCNH2 2875/4885

“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.