SCHEMBL21046006

SCHEMBL21046006

CCc1cc(N(C)Cc2c(OCCNC(=O)OC(C)(C)C)ccc(F)c2Cl)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.38
▸ PDK2 Q15119 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ AXL P30530 1/20 0.35
▸ PARP1 P09874 2/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ BUB1 O43683 1/20 0.34
▸ ACVR1B P36896 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 1/20 0.32
▸ CKS1B P61024 1/20 0.32
▸ SKP1 P63208 1/20 0.32

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
SCHEMBL22189118 0.78 SCN9A (0.40) SCN9APDK2CA12CA1CA2
SCHEMBL21046005 0.78 SCN9A (0.42) SCN9APDK2CA12CA1CA2
SCHEMBL22189091 0.75 SCN9A (0.40) SCN9APDK2CA12CA1CA2
SCHEMBL30879460 0.74 SCN9A (0.45) SCN9APDK2CA12CA1CA2
SCHEMBL16946717 0.74 SCN9A (0.45) SCN9APDK2CA12CA1CA2
SCHEMBL16935995 0.72 SCN9A (0.41) SCN9APDK2ACVR1BTGFBR1ACVRL1
SCHEMBL16936000 0.72 TGFBR1 (0.40) SCN9ABUB1TGFBR1EGFRNPSR1
SCHEMBL21601218 0.71 IDO1 (0.53) SCN9APDK2CA12CA1CA2
SCHEMBL16946716 0.69 CA12 (0.46) SCN9APDK2CA12CA1CA2
SCHEMBL2847582 0.68 SCN9A (0.48) SCN9APDK2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2020-07-09 — — US disclosed
US-10618912-B2 Diaryl macrocycles as modulators of protein kinases Turning Point Therapeutics, Inc. (US) 2020-04-14 — — US disclosed
US-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2019-06-06 — — 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-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, DAPK2 SCN9A 1527/4885PDK2 608/4885CA12 4393/4885
US-10618912-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 SCN9A 1671/4885PDK2 562/4885CA12 4385/4885
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 SCN9A 1671/4885PDK2 562/4885CA12 4385/4885

“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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