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SCHEMBL210541

SCHEMBL210541

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 4/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ FSCN1 Q16658 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ CASP3 P42574 7/20 0.36
▸ SENP7 Q9BQF6 7/20 0.36
▸ SENP8 Q96LD8 6/20 0.36
▸ SENP6 Q9GZR1 6/20 0.36
▸ PCSK9 Q8NBP7 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL210543 1.00 CSNK1D (0.40) CSNK1DDYRK1AFSCN1PTPN1NPC1
SCHEMBL210397 0.95 CSNK1D (0.41) CSNK1DDYRK1APTPN1NPC1MAPT
SCHEMBL210395 0.95 CSNK1D (0.41) CSNK1DDYRK1APTPN1NPC1MAPT
SCHEMBL210430 0.93 RAB9A (0.41) CSNK1DDYRK1ANPC1MAPTTRPV1
SCHEMBL210428 0.93 RAB9A (0.41) CSNK1DDYRK1ANPC1MAPTTRPV1
SCHEMBL2726514 0.89 CSNK1D (0.40) CSNK1DDYRK1AFSCN1PTPN1NPC1
SCHEMBL210542 0.89 CSNK1D (0.40) CSNK1DDYRK1AFSCN1PTPN1NPC1
SCHEMBL2727808 0.83 CSNK1D (0.40) CSNK1DDYRK1APTPN1NPC1MAPT
SCHEMBL210396 0.83 CSNK1D (0.40) CSNK1DDYRK1APTPN1NPC1MAPT
SCHEMBL210392 0.83 MAPK1 (0.36) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD

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 754/4885DYRK1A 4356/4885FSCN1 224/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885DYRK1A 4356/4885FSCN1 224/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885DYRK1A 4356/4885FSCN1 224/4885

“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.