SCHEMBL214704

SCHEMBL214704

[CH2][C@@H](O)C[C@@H](COC(=O)Nc1nc2ccc(F)cc2s1)N(NCc1cccc(F)c1Cl)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.44
PDPK1 O15530 1/20 0.42
DYRK1A Q13627 1/20 0.42
KMT2A Q03164 2/20 0.42
PTPN1 P18031 1/20 0.41
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
LRRK2 Q5S007 2/20 0.39
HTT P42858 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRK1 P41145 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL212428 0.92 RAB9A (0.44) CSNK1DDYRK1AKMT2AMAPTHTT
SCHEMBL210397 0.89 CSNK1D (0.41) CSNK1DPDPK1DYRK1AKMT2APTPN1
SCHEMBL210395 0.89 CSNK1D (0.41) CSNK1DPDPK1DYRK1AKMT2APTPN1
SCHEMBL214705 0.88 CSNK1D (0.43) CSNK1DPDPK1DYRK1AKMT2APTPN1
SCHEMBL210541 0.83 CSNK1D (0.40) CSNK1DDYRK1APTPN1MAPTHTT
SCHEMBL210543 0.83 CSNK1D (0.40) CSNK1DDYRK1APTPN1MAPTHTT
SCHEMBL2839842 0.83 ABL1 (0.33)
SCHEMBL210430 0.81 RAB9A (0.41) CSNK1DDYRK1AKMT2AMAPTHTT
SCHEMBL210428 0.81 RAB9A (0.41) CSNK1DDYRK1AKMT2AMAPTHTT
SCHEMBL2844884 0.80 CYP1A2 (0.35) KMT2AMAPTTP53NPC1RAB9A

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 6 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-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 CSNK1D 754/4885PDPK1 1673/4885DYRK1A 4356/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885PDPK1 1673/4885DYRK1A 4356/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885PDPK1 1673/4885DYRK1A 4356/4885

“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.