SCHEMBL22189089

SCHEMBL22189089

CCn1nccc1N(CCO)Cc1cc(F)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.41
▸ AXL P30530 2/20 0.39
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ BUB1 O43683 2/20 0.34
▸ STING1 Q86WV6 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SUV39H2 Q9H5I1 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ MKNK2 Q9HBH9 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
SCHEMBL22189116 0.93 SCN9A (0.43) SCN9AAXLCCNT1CDK9CA12
SCHEMBL22189091 0.79 SCN9A (0.40) SCN9AAXLCCNT1CDK9CA12
SCHEMBL29293585 0.77 SCN9A (0.48) SCN9AAXLCCNT1CDK9CA12
SCHEMBL16935926 0.76 SCN9A (0.46) SCN9AAXLCCNT1CDK9CA12
SCHEMBL16946993 0.75 NTRK1 (0.39) SCN9A
SCHEMBL21046005 0.74 SCN9A (0.42) SCN9AAXLCA12CA1CA2
SCHEMBL28963091 0.73 SCN9A (0.47) SCN9AAXLCCNT1CDK9CA12
SCHEMBL22189118 0.73 SCN9A (0.40) SCN9AAXLCCNT1CDK9CA12
SCHEMBL21229249 0.73 PCSK9 (0.45) SCN9AAXLCCNT1CDK9CA12
SCHEMBL16946788 0.72 SCN9A (0.46) SCN9AAXLCCNT1CDK9CA12

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 SCN9A 1671/4885AXL 1172/4885CCNT1 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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