SCHEMBL9606738

SCHEMBL9606738

CN(Cc1cccc(F)c1F)[C@@H](CCCOP=O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
NOTUM Q6P988 1/20 0.33
PIN1 Q13526 2/20 0.33
ABL1 P00519 4/20 0.32
RIPK1 Q13546 1/20 0.32
MAP4K1 Q92918 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
CDK4 P11802 1/20 0.30
CDK2 P24941 1/20 0.30
MTOR P42345 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
SCHEMBL2729920 0.90 PIN1 (0.40) CTSKNOTUMPIN1ABL1RIPK1
SCHEMBL2840973 0.90 PIN1 (0.40) CTSKNOTUMPIN1ABL1RIPK1
SCHEMBL2728833 0.90 CTSK (0.37) CTSKNOTUMPIN1ABL1RIPK1
SCHEMBL2839634 0.90 CTSK (0.37) CTSKNOTUMPIN1ABL1RIPK1
SCHEMBL2839632 0.90 CTSK (0.37) CTSKNOTUMPIN1ABL1RIPK1
SCHEMBL2840966 0.89 PIN1 (0.36) CTSKNOTUMPIN1ABL1MAP4K1
SCHEMBL9606727 0.88 NOTUM (0.33) CTSKNOTUMPIN1ABL1RIPK1
SCHEMBL9606734 0.88 NOTUM (0.33) CTSKNOTUMPIN1ABL1RIPK1
SCHEMBL2727999 0.83 NOTUM (0.37) CTSKNOTUMPIN1ABL1RIPK1
SCHEMBL2844956 0.83 NOTUM (0.37) CTSKNOTUMPIN1ABL1RIPK1

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885PIN1 4267/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885PIN1 4267/4885

“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.