SCHEMBL1167911

SCHEMBL1167911

CC(C)(C)Oc1ccc(C(=O)n2nc(NC3CCN(S(C)(=O)=O)CC3)nc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.44
▸ CCNE1 P24864 4/20 0.44
▸ CDK1 P06493 9/20 0.43
▸ CDK4 P11802 9/20 0.43
▸ CCND1 P24385 9/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ CASK O14936 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ CDKL5 O76039 1/20 0.40
▸ STK10 O94804 1/20 0.40
▸ CDK14 O94921 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ MAK P20794 1/20 0.40
▸ CDK11B P21127 1/20 0.40
▸ TTK P33981 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CLK2 P49760 1/20 0.40

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
SCHEMBL1167793 0.87 CDK2 (0.44) CDK2CCNE1CDK1CDK4CCND1
SCHEMBL1167828 0.84 CDK2 (0.46) CDK2CCNE1CDK1CDK4CCND1
SCHEMBL1167915 0.81 INSR (0.46) CDK2CCNE1CDK1CDK4CCND1
SCHEMBL1167407 0.79 CDK2 (0.49) CDK2CCNE1CDK1CDK4CCND1
SCHEMBL1167433 0.79 CDK2 (0.47) CDK2CCNE1CDK1CDK4CCND1
SCHEMBL1168934 0.78 CDK1 (0.63) CDK2CDK1CDK4CCND1SYK
SCHEMBL1167977 0.73 IRAK4 (0.40) SYKEGFRGSK3BKDM4EKMT2A
SCHEMBL1167754 0.73 CCNB2 (0.58) CDK1KDM4EKMT2AJAK2JAK3
SCHEMBL1167480 0.72 INSR (0.53) CDK1ALDH1A1KDM4EKMT2AJAK2
SCHEMBL1168330 0.70 EPHX2 (0.40) EPHX2ALDH1A1SYKKMT2AHPGDS

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-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — US claimed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 — — US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 — — US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 — — US disclosed
EP-1922310-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2008-05-21 — — EP disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — US disclosed
WO-2007030680-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2007-03-15 — — 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-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 CDK2 176/4885CCNE1 2601/4885CDK1 202/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 CDK2 206/4885CCNE1 3133/4885CDK1 307/4885

“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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