SCHEMBL12848717

SCHEMBL12848717

Cc1cnccc1NC(=O)c1nc2c(s1)-c1cc(-c3cnn(C)c3)ccc1CCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 2/20 0.40
▸ TBK1 Q9UHD2 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ WNT1 P04628 11/20 0.40
▸ DYRK1A Q13627 11/20 0.40
▸ GSK3B P49841 9/20 0.40
▸ CLK2 P49760 2/20 0.39
▸ CLK3 P49761 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CREBBP Q92793 3/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ IL2 P60568 1/20 0.35

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
SCHEMBL13770530 0.87 IRAK4 (0.41) DYRK1ACLK2CLK3ALDH1A1CREBBP
SCHEMBL14222423 0.86 IL2 (0.39) IKBKETBK1GSK3BALDH1A1IL2
SCHEMBL12848712 0.83 GSK3B (0.41) DYRK1AGSK3BALDH1A1LMNACREBBP
SCHEMBL14172516 0.83 MAPT (0.41) DYRK1AALDH1A1IL2
SCHEMBL12848716 0.81 ALDH1A1 (0.39) WNT1DYRK1AGSK3BALDH1A1LMNA
SCHEMBL12848463 0.81 HDAC1 (0.38) IKBKETBK1HDAC1IL2
SCHEMBL14172853 0.79 NPC1 (0.40) WNT1DYRK1AGSK3BALDH1A1LMNA
SCHEMBL14223164 0.78 PRMT5 (0.37) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL12848873 0.77 ABCB1 (0.46) —
SCHEMBL12848730 0.73 MEN1 (0.42) HDAC1HDAC2ALDH1A1CREBBPIL2

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
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
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 — — 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 (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 IKBKE 151/4885TBK1 997/4885HDAC1 492/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 IKBKE 214/4885TBK1 729/4885HDAC1 851/4885

“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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