SCHEMBL12848832

SCHEMBL12848832

Cn1nnc(-c2ccc3c(c2)-c2ncc(NC(=O)c4c(F)cccc4F)cc2CCC3)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ RORC P51449 5/20 0.41
▸ NR1I2 O75469 2/20 0.40
▸ RORA P35398 2/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ RORB Q92753 2/20 0.40
▸ NR1H4 Q96RI1 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ IL2 P60568 1/20 0.40
▸ 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

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
SCHEMBL12848539 0.83 GSK3B (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1GFER
SCHEMBL12848736 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1GFER
SCHEMBL12848829 0.80 LMNA (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1GFER
SCHEMBL12848442 0.79 IL2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1GFER
SCHEMBL12848898 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1GFER
SCHEMBL12848738 0.79 IL2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1GFER
SCHEMBL4761837 0.77 IL2 (0.64) IL2HTTKMT2AKDM4E
SCHEMBL12848831 0.75 DYRK1A (0.46) NPC1RAB9ASMN1; SMN2GSK3BCLK2
SCHEMBL12796745 0.75 NPC1 (0.46) NPC1RAB9ASMN1; SMN2RORCNR1I2
SCHEMBL14172554 0.72 TRPM8 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1GFER

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 NPC1 1042/4885RAB9A 1908/4885SMN1; SMN2 4820/4885

“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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