SCHEMBL1167441

SCHEMBL1167441

CC(COc1ccc(Nc2nc(N)n(C(=O)c3ccc(OC(C)(C)C)cc3)n2)cc1)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.44
TYK2 P29597 4/20 0.44
CCNB2 O95067 3/20 0.44
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
CCNB3 Q8WWL7 3/20 0.44
JAK2 O60674 8/20 0.43
JAK3 P52333 3/20 0.43
EGFR P00533 1/20 0.39
INSR P06213 1/20 0.39
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
FGFR2 P21802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
KDR P35968 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39

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
SCHEMBL1167470 0.89 JAK2 (0.56) JAK1TYK2CCNB2CDK1CCNB1
SCHEMBL1167042 0.89 JAK1 (0.46) JAK1TYK2CCNB2CDK1CCNB1
SCHEMBL1167484 0.85 CCNB2 (0.47) JAK1TYK2CCNB2CDK1CCNB1
SCHEMBL1167754 0.82 CCNB2 (0.58) JAK1TYK2CCNB2CDK1CCNB1
SCHEMBL1167428 0.80 AXL (0.56) JAK1TYK2JAK2JAK3INSR
SCHEMBL1167955 0.80 AXL (0.51) JAK2INSR
SCHEMBL1167340 0.80 BACE1 (0.56) INSR
SCHEMBL1167481 0.80 BACE1 (0.56) INSR
SCHEMBL1168525 0.78 KDM4E (0.43) JAK1TYK2CCNB2CDK1CCNB1
SCHEMBL1167954 0.78 AXL (0.58) CDK1JAK2JAK3INSRCDK2

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 JAK1 99/4885TYK2 9/4885CCNB2 1915/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 JAK1 77/4885TYK2 14/4885CCNB2 2510/4885

“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.