SCHEMBL12848712

SCHEMBL12848712

Cn1cc(-c2ccc3c(c2)-c2sc(C(=O)Nc4ccc(F)cc4F)nc2CCC3)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ CREBBP Q92793 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ MET P08581 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MCL1 Q07820 1/20 0.36

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
SCHEMBL12848716 0.86 ALDH1A1 (0.39) GSK3BDYRK1ALMNACREBBPALDH1A1
SCHEMBL12848870 0.84 CYP1A2 (0.51) GAATP53LMNANPC1RAB9A
SCHEMBL12848717 0.83 IKBKE (0.40) GSK3BDYRK1ALMNACREBBPALDH1A1
SCHEMBL14223164 0.78 PRMT5 (0.37) GSK3BDYRK1ALMNACREBBPBRD4
SCHEMBL12848462 0.78 NPC1 (0.40) TP53LMNANPC1RAB9ACYP1A2
SCHEMBL14172853 0.77 NPC1 (0.40) GSK3BDYRK1ALMNANPC1RAB9A
SCHEMBL12848873 0.75 ABCB1 (0.46) CYP1A2CYP3A4CYP2C19
SCHEMBL14222752 0.73 HDAC4 (0.38) TP53NPC1RAB9ASMN1; SMN2
SCHEMBL12848541 0.73 MAPT (0.35) GSK3BDYRK1ATP53NPC1RAB9A
SCHEMBL12848755 0.72 BTK (0.42) GAALMNANPC1RAB9ACREBBP

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 6 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
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 GSK3B 1782/4885DYRK1A 3733/4885GAA 1402/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 GSK3B 1985/4885DYRK1A 4376/4885GAA 1899/4885

“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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