SCHEMBL12796187

SCHEMBL12796187

Cc1csc(-c2cccc3c2CCCc2nc(NC(=O)c4c(F)cccc4F)sc2-3)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ FABP4 P15090 4/20 0.38
▸ FABP5 Q01469 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12796193 0.85 ALDH1A1 (0.41) GAAKDM4EUSP2HTTHSD17B10
SCHEMBL14172578 0.83 ALDH1A1 (0.47) GAAKDM4EUSP2HTTHSD17B10
SCHEMBL14172571 0.82 ALDH1A1 (0.46) GAAKDM4EUSP2HTTHSD17B10
SCHEMBL14172527 0.82 MAPT (0.46) GAAKDM4EUSP2HTTHSD17B10
SCHEMBL14172573 0.82 MAPT (0.49) GAAKDM4EUSP2HTTHSD17B10
SCHEMBL14172585 0.81 ALDH1A1 (0.44) GAAKDM4EUSP2HTTHSD17B10
SCHEMBL14172580 0.81 ALDH1A1 (0.44) GAAKDM4EUSP2HTTHSD17B10
SCHEMBL14172810 0.80 MAPT (0.47) GAAKDM4EUSP2HTTHSD17B10
SCHEMBL14172583 0.79 MAPT (0.47) GAAKDM4EUSP2HTTHSD17B10
SCHEMBL14172531 0.79 ALDH1A1 (0.51) GAAKDM4EUSP2HTTHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 — — US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
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
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 — — US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 — — 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 (2 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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 GAA 1402/4885KDM4E 1715/4885USP2 1999/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 GAA 1899/4885KDM4E 2836/4885USP2 2450/4885

“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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