SCHEMBL9606727

SCHEMBL9606727

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
CDK4 P11802 3/20 0.33
CDK2 P24941 2/20 0.33
PIN1 Q13526 1/20 0.33
ABL1 P00519 3/20 0.32
RIPK1 Q13546 1/20 0.32
CTSK P43235 1/20 0.32
MAP4K1 Q92918 1/20 0.31
MAPT P10636 1/20 0.31
NLRP3 Q96P20 1/20 0.31
GCK P35557 2/20 0.31
MAPK1 P28482 2/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 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
SCHEMBL9606734 1.00 NOTUM (0.33) NOTUMCDK4CDK2PIN1ABL1
SCHEMBL9606714 0.92 NOTUM (0.33) NOTUMCDK4CDK2ABL1CTSK
SCHEMBL2845097 0.91 NOTUM (0.37) NOTUMCDK4CDK2PIN1ABL1
SCHEMBL2727993 0.91 NOTUM (0.37) NOTUMCDK4CDK2PIN1ABL1
SCHEMBL2844956 0.91 NOTUM (0.37) NOTUMCDK4CDK2PIN1ABL1
SCHEMBL2844950 0.91 NOTUM (0.37) NOTUMCDK4CDK2PIN1ABL1
SCHEMBL2727999 0.91 NOTUM (0.37) NOTUMCDK4CDK2PIN1ABL1
SCHEMBL2730660 0.90 PIN1 (0.42) NOTUMPIN1ABL1RIPK1CTSK
SCHEMBL2842131 0.90 PIN1 (0.42) NOTUMPIN1ABL1RIPK1CTSK
SCHEMBL2728040 0.90 PIN1 (0.42) NOTUMPIN1ABL1RIPK1CTSK

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 NOTUM 2164/4885CDK4 1024/4885CDK2 988/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885CDK4 1024/4885CDK2 988/4885

“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.