SCHEMBL12848898

SCHEMBL12848898

O=C(Nc1cnc2c(c1)CCCc1ccc(-c3nccs3)cc1-2)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ FES P07332 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ ROS1 P08922 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ PIM1 P11309 1/20 0.41

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
SCHEMBL12848829 0.84 LMNA (0.49) NPC1RAB9ASMN1; SMN2TP53EGFR
SCHEMBL12848738 0.82 IL2 (0.51) NPC1RAB9ASMN1; SMN2TP53EGFR
SCHEMBL12848736 0.81 NPC1 (0.43) NPC1RAB9ASMN1; SMN2EGFRDYRK3
SCHEMBL12848442 0.80 IL2 (0.49) NPC1RAB9ASMN1; SMN2TP53EGFR
SCHEMBL12796201 0.79 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2TP53ABL1
SCHEMBL12848832 0.79 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53EGFR
SCHEMBL12848539 0.79 GSK3B (0.44) NPC1RAB9ASMN1; SMN2EGFRDYRK3
SCHEMBL12848831 0.78 DYRK1A (0.46) NPC1RAB9ASMN1; SMN2TP53EGFR
SCHEMBL12796745 0.76 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53EGFR
SCHEMBL2814289 0.75 IL2 (0.49) NPC1RAB9AEGFRDYRK3PRKD3

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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