Sugi Predict

Sugi Predict / Compounds / SCHEMBL1167433

SCHEMBL1167433

SCHEMBL1167433

CS(=O)(=O)N1CCC(Nc2nc(N)n(C(=O)c3ccc4c(c3)OCCO4)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.47
▸ CCNE1 P24864 4/20 0.47
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CDK1 P06493 6/20 0.43
▸ CDK4 P11802 6/20 0.43
▸ CCND1 P24385 6/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PKLR P30613 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL1167915 0.83 INSR (0.46) CDK2CCNE1CDK1CDK4CCND1
SCHEMBL1167407 0.82 CDK2 (0.49) CDK2CCNE1CDK1CDK4CCND1
SCHEMBL1167828 0.81 CDK2 (0.46) CDK2CCNE1CDK1CDK4CCND1
SCHEMBL1167793 0.79 CDK2 (0.44) CDK2CCNE1CDK1CDK4CCND1
SCHEMBL1167911 0.79 CDK2 (0.44) CDK2CCNE1CDK1CDK4CCND1
SCHEMBL1168934 0.77 CDK1 (0.63) CDK2CDK1CDK4CCND1
SCHEMBL1167634 0.73 CCNB2 (0.54) CDK2CDK1CDK4CCND1MEN1
SCHEMBL1168089 0.72 CCNB2 (0.49) CDK1
SCHEMBL1167159 0.71 NPC1 (0.48) CDK1MEN1KMT2A
SCHEMBL1167959 0.70 NPC1 (0.48) HPGDCDK1MEN1KMT2AALDH1A1

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 2601/4885HPGD 3210/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 CDK2 206/4885CCNE1 3133/4885HPGD 3260/4885

“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.