Sugi Predict

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SCHEMBL210395

SCHEMBL210395

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 4/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PCSK9 Q8NBP7 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL210397 1.00 CSNK1D (0.41) CSNK1DKMT2APDPK1DYRK1AMAPT
SCHEMBL210543 0.95 CSNK1D (0.40) CSNK1DDYRK1AMAPTPTPN1HTT
SCHEMBL210541 0.95 CSNK1D (0.40) CSNK1DDYRK1AMAPTPTPN1HTT
SCHEMBL210428 0.93 RAB9A (0.41) CSNK1DKMT2ADYRK1AMAPTHTT
SCHEMBL210430 0.93 RAB9A (0.41) CSNK1DKMT2ADYRK1AMAPTHTT
SCHEMBL214704 0.89 CSNK1D (0.44) CSNK1DKMT2APDPK1DYRK1AMAPT
SCHEMBL210396 0.89 CSNK1D (0.40) CSNK1DKMT2APDPK1DYRK1AMAPT
SCHEMBL2727808 0.89 CSNK1D (0.40) CSNK1DKMT2APDPK1DYRK1AMAPT
SCHEMBL211556 0.85 ABL1 (0.31) DYRK1A
SCHEMBL212190 0.85 ABL1 (0.31) DYRK1A

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 754/4885KMT2A 2418/4885PDPK1 1673/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885KMT2A 2418/4885PDPK1 1673/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885KMT2A 2418/4885PDPK1 1673/4885

“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.