Sugi Predict

Sugi Predict / Compounds / SCHEMBL1167710

SCHEMBL1167710

SCHEMBL1167710

Nc1nc(Nc2ccc(N3CCOCC3)cc2)nn1C(=O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 8/20 0.69
▸ CCNB2 O95067 7/20 0.69
▸ CCNB1 P14635 7/20 0.69
▸ CCNB3 Q8WWL7 7/20 0.69
▸ JAK2 O60674 7/20 0.58
▸ CDK2 P24941 3/20 0.58
▸ AXL P30530 2/20 0.58
▸ CDK4 P11802 2/20 0.58
▸ CCNA2 P20248 2/20 0.58
▸ FGFR2 P21802 2/20 0.58
▸ CCND1 P24385 2/20 0.58
▸ MAPK3 P27361 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ KDR P35968 2/20 0.58
▸ CSNK1A1 P48729 2/20 0.58
▸ CSNK1D P48730 2/20 0.58
▸ CSNK1E P49674 2/20 0.58
▸ GSK3A P49840 2/20 0.58
▸ GSK3B P49841 2/20 0.58
▸ CSNK1G2 P78368 2/20 0.58

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
SCHEMBL1167417 0.87 AXL (0.60) CDK1CCNB2CCNB1CCNB3JAK2
SCHEMBL1168367 0.87 AXL (0.59) CDK1CCNB2CCNB1CCNB3JAK2
SCHEMBL1167740 0.84 AXL (0.57) CDK1CCNB2CCNB1CCNB3JAK2
SCHEMBL6099748 0.83 CCNB2 (0.81) CDK1CCNB2CCNB1CCNB3JAK2
SCHEMBL5986060 0.82 CCNB2 (0.79) CDK1CCNB2CCNB1CCNB3JAK2
SCHEMBL5726202 0.82 CCNB2 (1.00) CDK1CCNB2CCNB1CCNB3JAK2
SCHEMBL1167667 0.82 AXL (0.57) CDK1CCNB2CCNB1CCNB3JAK2
SCHEMBL1168120 0.82 INSR (0.57) CDK1CCNB2CCNB1CCNB3JAK2
SCHEMBL5726369 0.81 CCNB2 (0.81) CDK1CCNB2CCNB1CCNB3JAK2
SCHEMBL6102916 0.81 CCNB2 (0.87) CDK1CCNB2CCNB1CCNB3JAK2

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-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
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — 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-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 CDK1 202/4885CCNB2 1915/4885CCNB1 2575/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 CDK1 307/4885CCNB2 2510/4885CCNB1 2980/4885

“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.