SCHEMBL1167545

SCHEMBL1167545

CN(C)CCOc1ccc(Nc2nc(N)n(C(=O)c3ccc4c(c3)NC(=O)C(C)(C)O4)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ CCNB2 O95067 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ CCNB3 Q8WWL7 2/20 0.40
▸ JAK1 P23458 3/20 0.39
▸ TYK2 P29597 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ JAK2 O60674 4/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCND2 P30279 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ INSR P06213 1/20 0.37

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
SCHEMBL1168525 0.88 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL1168078 0.87 AXL (0.50) POLBHPGDINSRAXL
SCHEMBL1167493 0.85 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL1167198 0.80 POLB (0.48) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL1167422 0.80 JAK1 (0.48) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1168324 0.79 AXL (0.51) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL1168692 0.79 JAK2 (0.57) KDM4EALDH1A1CCNB2CDK1CCNB1
SCHEMBL1167484 0.78 CCNB2 (0.47) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1167655 0.78 JAK1 (0.46) CCNB2CDK1CCNB1CCNB3JAK1
SCHEMBL1167703 0.76 JAK1 (0.47) CCNB2CDK1CCNB1CCNB3JAK1

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 KDM4E 4332/4885ALDH1A1 3801/4885SMN1; SMN2 3462/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 KDM4E 4285/4885ALDH1A1 4026/4885SMN1; SMN2 4319/4885

“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.

Send feedback