SCHEMBL9606714

SCHEMBL9606714

CN(Cc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2ccccc2cn1)C[C@@H](O)COP=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
ABL1 P00519 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CDK4 P11802 2/20 0.31
CDK2 P24941 1/20 0.31
CTSK P43235 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAP4K1 Q92918 1/20 0.30
NLRP3 Q96P20 1/20 0.30
GCK P35557 1/20 0.30
MAPK1 P28482 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 0.92 NOTUM (0.33) NOTUMABL1CDK4CDK2CTSK
SCHEMBL9606727 0.92 NOTUM (0.33) NOTUMABL1CDK4CDK2CTSK
SCHEMBL2846576 0.91 NOTUM (0.36) NOTUMABL1TDP1CTSKALDH1A1
SCHEMBL2846571 0.91 NOTUM (0.36) NOTUMABL1TDP1CTSKALDH1A1
SCHEMBL2730450 0.91 NOTUM (0.36) NOTUMABL1TDP1CTSKALDH1A1
SCHEMBL2873459 0.91 NOTUM (0.36) NOTUMABL1TDP1CTSKALDH1A1
SCHEMBL2728662 0.91 NOTUM (0.36) NOTUMABL1TDP1CTSKALDH1A1
SCHEMBL211243 0.90 PIN1 (0.36) NOTUMABL1TDP1CTSKALDH1A1
SCHEMBL213535 0.90 PIN1 (0.36) NOTUMABL1TDP1CTSKALDH1A1
SCHEMBL213534 0.90 PIN1 (0.36) NOTUMABL1TDP1CTSKALDH1A1

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 2164/4885ABL1 956/4885TDP1 1077/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885ABL1 956/4885TDP1 1077/4885

“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.