SCHEMBL21076678

SCHEMBL21076678

C=C/C(=N\n1c(C(=O)OCC)cnc1C)OC(C)c1cc(F)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.36
▸ ITK Q08881 4/20 0.34
▸ EGFR P00533 3/20 0.34
▸ BUB1 O43683 1/20 0.34
▸ BRD4 O60885 3/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ AAK1 Q2M2I8 2/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ PDK2 Q15119 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
SCHEMBL30092492 0.76 SCN9A (0.38) SCN9ABUB1BRD4ADORA3ADORA2A
SCHEMBL16935982 0.76 SCN9A (0.38) SCN9ABUB1BRD4ADORA3ADORA2A
SCHEMBL28644222 0.72 SCN9A (0.40) SCN9AITKEGFRBRD4ADRB2
SCHEMBL23000220 0.71 CA1 (0.44) SCN9ABRD4AXLAAK1GAA
SCHEMBL23000217 0.71 CA1 (0.44) SCN9ABRD4AXLAAK1GAA
SCHEMBL16935925 0.70 SCN9A (0.46) SCN9ABRD4ADRB2HTR1AAXL
SCHEMBL19631375 0.70 SCN9A (0.36) SCN9ABUB1BRD4AXLAAK1
SCHEMBL30086040 0.69 PDE4A (0.40) SCN9ABUB1BRD4ADORA3ADORA2A
SCHEMBL3166414 0.69 CA12 (0.46) SCN9ABRD4ADORA3ADORA2AKDM4E
SCHEMBL23000215 0.68 CA1 (0.45) SCN9ABRD4AXLAAK1POLB

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-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 (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-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, DAPK2 SCN9A 1527/4885ITK 527/4885EGFR 1021/4885
US-10618912-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 SCN9A 1671/4885ITK 480/4885EGFR 1002/4885

“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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