SCHEMBL19631375

SCHEMBL19631375

CCOC(=O)C1=CN(C)C(OC(C)c2cc(F)ccc2OCCNC(=O)OC(C)(C)C)NN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.36
▸ BRD4 O60885 3/20 0.34
▸ CCNT1 O60563 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MKNK2 Q9HBH9 5/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BUB1 O43683 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20903440 0.77 RBP4 (0.36) KDM4ETDP1
SCHEMBL21941201 0.75 PDK2 (0.33) —
SCHEMBL16935925 0.73 SCN9A (0.46) SCN9ABRD4AAK1AXLCA12
SCHEMBL16935982 0.72 SCN9A (0.38) SCN9ABRD4KDM4EMAPTNPSR1
SCHEMBL30092492 0.72 SCN9A (0.38) SCN9ABRD4KDM4EMAPTNPSR1
SCHEMBL30086040 0.72 PDE4A (0.40) SCN9ABRD4CCNT1CDK9KDM4E
SCHEMBL3166414 0.72 CA12 (0.46) SCN9ABRD4KDM4EMAPTNPSR1
SCHEMBL23000217 0.70 CA1 (0.44) SCN9ABRD4MKNK2CYP2C19AAK1
SCHEMBL23000220 0.70 CA1 (0.44) SCN9ABRD4MKNK2CYP2C19AAK1
SCHEMBL21494191 0.70 CA12 (0.47) SCN9ABRD4CYP2C19AAK1AXL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246466-B2 Diaryl macrocycles as modulators of protein kinases TP THERAPEUTICS, INC. (US) 2019-04-02 — — US disclosed
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2017-11-23 — — 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-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 SCN9A 1671/4885BRD4 224/4885CCNT1 989/4885
US-10246466-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 SCN9A 1671/4885BRD4 224/4885CCNT1 989/4885

“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.

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