SCHEMBL13770530

SCHEMBL13770530

Cc1cnccc1NC(=O)c1nc2c(s1)-c1cc(-c3cccnc3)ccc1CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ ABCB1 P08183 4/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ IL2 P60568 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 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
SCHEMBL12848873 0.90 ABCB1 (0.46) CYP11B1CYP11B2ABCB1CSF1RCYP1A2
SCHEMBL14222423 0.88 IL2 (0.39) IRAK4NPY5RIL2MAPTSMN1; SMN2
SCHEMBL12848717 0.87 IKBKE (0.40) CREBBPIL2CLK2CLK3DYRK1A
SCHEMBL12848730 0.86 MEN1 (0.42) IRAK4CYP11B1CYP11B2ABCB1SLC2A1
SCHEMBL13770534 0.85 CYP11B2 (0.42) CYP11B1CYP11B2PIK3CAPIK3CGCREBBP
SCHEMBL14172516 0.85 MAPT (0.41) IRAK4NPY5RCYP1A2CYP3A4CYP2C19
SCHEMBL12848870 0.84 CYP1A2 (0.51) ABCB1CSF1RNPY5RCYP1A2CYP3A4
SCHEMBL12848715 0.83 ABCB1 (0.40) CYP11B1CYP11B2PIK3CAPIK3CGABCB1
SCHEMBL12848709 0.83 ATR (0.44) CYP11B1CYP11B2ABCB1ATRSMN1; SMN2
SCHEMBL12848463 0.81 HDAC1 (0.38) CSF1RIL2MAPTSMN1; SMN2

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 5 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
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 (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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 IRAK4 42/4885CYP11B1 318/4885CYP11B2 289/4885

“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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