SCHEMBL12848829

SCHEMBL12848829

O=C(Nc1cnc2c(c1)CCCc1ccc(-c3cccnc3)cc1-2)c1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CLK2 P49760 2/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ FES P07332 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ ROS1 P08922 1/20 0.44
▸ KIT P10721 1/20 0.44

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
SCHEMBL12848831 0.94 DYRK1A (0.46) LMNANPC1RAB9ASMN1; SMN2CLK2
SCHEMBL12848891 0.88 DYRK1A (0.44) NPC1RAB9ASMN1; SMN2DYRK1ANPY5R
SCHEMBL12848953 0.85 ADORA2B (0.44) LMNAABL1GSK3BROCK1CLK4
SCHEMBL12848738 0.84 IL2 (0.51) LMNANPC1RAB9ASMN1; SMN2CLK2
SCHEMBL12848898 0.84 NPC1 (0.44) LMNANPC1RAB9ASMN1; SMN2CLK2
SCHEMBL12848442 0.84 IL2 (0.49) LMNANPC1RAB9ASMN1; SMN2CLK2
SCHEMBL12796659 0.83 ABCB1 (0.46) ABL1NTRK1NPY5RABCB1CYP11B1
SCHEMBL12848904 0.83 CREBBP (0.42) NPC1RAB9ASMN1; SMN2CSF1RBLK
SCHEMBL12848884 0.82 LMNA (0.45) LMNAABL1GSK3BDYRK1AABCB1
SCHEMBL12848736 0.82 NPC1 (0.43) NPC1RAB9ASMN1; SMN2CLK2DYRK3

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO 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 LMNA 4871/4885NPC1 1042/4885RAB9A 1908/4885

“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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