SCHEMBL1168103

SCHEMBL1168103

CCOC(=O)c1cc2cc(Nc3nc(N)n(C(=O)c4cccc(OC(C)C)c4)n3)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.54
▸ JAK1 P23458 3/20 0.54
▸ P2RX3 P56373 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CDK1 P06493 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ ELANE P08246 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
SCHEMBL1168111 0.89 TYK2 (0.58) TYK2JAK1ELANE
SCHEMBL12708344 0.80 TYK2 (0.53) TYK2JAK1CDK1CCNB2CCNB1
SCHEMBL1167919 0.78 TYK2 (0.52) TYK2JAK1MEN1KMT2ACDK1
SCHEMBL1167766 0.77 NPC1 (0.46) TYK2JAK1NPC1RAB9ACDK1
SCHEMBL12732922 0.77 TYK2 (0.51) TYK2JAK1CDK1TSHRMAPK1
SCHEMBL1168113 0.77 JAK2 (0.49) TYK2JAK1MEN1KMT2ACDK1
SCHEMBL1167707 0.75 TYK2 (0.52) TYK2JAK1CDK1CCNB2CCNB1
SCHEMBL1169181 0.75 F2 (0.48) TYK2JAK1CDK1CCNB2CCNB1
SCHEMBL1167882 0.75 TYK2 (0.52) TYK2JAK1CDK1CCNB2CCNB1
SCHEMBL1167583 0.75 TYK2 (0.51) TYK2JAK1CDK1MAPK1CCNB2

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 TYK2 9/4885JAK1 99/4885P2RX3 3407/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 TYK2 14/4885JAK1 77/4885P2RX3 1370/4885

“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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