SCHEMBL12529138

SCHEMBL12529138

COc1cc(Nc2ncc3ccn(Cc4cccnc4)c3n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 1.00
▸ JAK2 O60674 2/20 0.59
▸ AURKA O14965 1/20 0.56
▸ DAPK3 O43293 1/20 0.56
▸ PAK4 O96013 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ NTRK1 P04629 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ CSF1R P07333 1/20 0.56
▸ RET P07949 1/20 0.56
▸ IGF1R P08069 1/20 0.56
▸ MET P08581 1/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ FGFR1 P11362 1/20 0.56
▸ PDGFRA P16234 1/20 0.56
▸ PRKACA P17612 1/20 0.56
▸ FLT1 P17948 1/20 0.56
▸ LTK P29376 1/20 0.56
▸ KDR P35968 1/20 0.56

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
SCHEMBL12529153 0.90 PTK2 (0.82) PTK2JAK2AURKADAPK3PAK4
SCHEMBL12528915 0.87 PTK2 (0.77) PTK2JAK2AURKADAPK3PAK4
SCHEMBL12528998 0.84 PTK2 (0.72) PTK2JAK2AURKADAPK3PAK4
SCHEMBL16570980 0.83 PTK2 (0.71) PTK2JAK2LCKFYNIGF1R
SCHEMBL12529142 0.82 PTK2 (1.00) PTK2JAK2AURKADAPK3PAK4
SCHEMBL12529032 0.82 PTK2 (0.69) PTK2JAK2AURKADAPK3PAK4
SCHEMBL12529108 0.81 PTK2 (1.00) PTK2JAK2AURKADAPK3PAK4
SCHEMBL12528777 0.80 PTK2 (0.66) PTK2JAK2AURKANTRK1LCK
SCHEMBL12529157 0.80 PTK2 (0.66) PTK2JAK2AURKANTRK1LCK
SCHEMBL12529016 0.77 PTK2 (0.62) PTK2JAK2AURKADAPK3PAK4

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
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 — — EP disclosed
US-7968557-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs NOVARTIS AG (CH) 2011-06-28 — — US disclosed
US-7968557-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs NOVARTIS AG (CH) 2011-06-28 — — US disclosed
US-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2007-09-27 — — US disclosed
US-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2007-09-27 — — 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 (1 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-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors ABL1, PDGFRA, PDGFRB PTK2 5/4885JAK2 4/4885AURKA 682/4885

“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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