SCHEMBL22188920

SCHEMBL22188920

CCOC(=O)c1cnc2ccc(OCCc3cc(F)ccc3OCCNC(=O)OC(C)(C)C)nn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ AXL P30530 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ BUB1 O43683 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MKNK1 Q9BUB5 5/20 0.34
▸ CCNT1 O60563 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL16935962 0.87 SCN9A (0.38) SCN9AADORA3ADORA2AAXLTGFBR1
SCHEMBL30092492 0.85 SCN9A (0.38) SCN9AADORA3ADORA2AAXLTGFBR1
SCHEMBL16935982 0.85 SCN9A (0.38) SCN9AADORA3ADORA2AAXLTGFBR1
SCHEMBL18352379 0.76 SCN9A (0.40) SCN9AAXLTGFBR1BUB1BRD4
SCHEMBL29293585 0.75 SCN9A (0.48) SCN9AAXLBRD4CCNT1CDK9
SCHEMBL16935926 0.74 SCN9A (0.46) SCN9AAXLBRD4CCNT1CDK9
SCHEMBL3166414 0.73 CA12 (0.46) SCN9AADORA3ADORA2ABRD4KDM4E
SCHEMBL28963091 0.71 SCN9A (0.47) SCN9AAXLBRD4CCNT1CDK9
SCHEMBL14881496 0.70 PIM1 (0.45) TGFBR1MKNK1KDM4EMAPTGAA
SCHEMBL16946788 0.70 SCN9A (0.46) SCN9AAXLCCNT1CDK9NTRK1

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 1671/4885ADORA3 3490/4885ADORA2A 1956/4885

“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.

Send feedback