SCHEMBL12848539

SCHEMBL12848539

Cn1cncc1-c1ccc2c(c1)-c1ncc(NC(=O)c3c(F)cccc3F)cc1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.44
▸ DYRK1A Q13627 8/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ WNT1 P04628 5/20 0.41
▸ CLK2 P49760 4/20 0.41
▸ CLK3 P49761 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ DYRK3 O43781 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ FES P07332 1/20 0.40

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
SCHEMBL12848736 0.84 NPC1 (0.43) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL12848832 0.83 NPC1 (0.43) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL12848829 0.82 LMNA (0.49) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL12848442 0.81 IL2 (0.49) GSK3BNPC1RAB9ASMN1; SMN2CLK2
SCHEMBL12848898 0.79 NPC1 (0.44) GSK3BNPC1RAB9ASMN1; SMN2CLK2
SCHEMBL12848738 0.79 IL2 (0.51) GSK3BNPC1RAB9ASMN1; SMN2CLK2
SCHEMBL12796745 0.78 NPC1 (0.46) GSK3BNPC1RAB9ASMN1; SMN2CLK2
SCHEMBL14172713 0.77 RAB9A (0.46) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL12848831 0.77 DYRK1A (0.46) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL12848721 0.74 GSK3B (0.42) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 GSK3B 1985/4885DYRK1A 4376/4885NPC1 1042/4885

“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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