SCHEMBL4283794

SCHEMBL4283794

Cc1ccc(Nc2ncc3ccn(-c4ccc(C[S+](C)[O-])cc4)c3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 13/20 0.59
▸ JAK2 O60674 4/20 0.48
▸ AURKA O14965 3/20 0.48
▸ RPS6KA3 P51812 2/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ PAK4 O96013 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ RET P07949 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ MET P08581 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ LTK P29376 1/20 0.48

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
SCHEMBL1655458 0.81 PTK2 (0.56) PTK2JAK2AURKARPS6KA3DAPK3
SCHEMBL1655016 0.78 STAT6 (0.58) PTK2JAK2AURKARPS6KA3CSF1R
SCHEMBL29277206 0.76 AURKA (0.77) JAK2AURKARPS6KA3PDGFRBPDGFRA
SCHEMBL4283753 0.75 BRD4 (0.67) JAK2AURKARPS6KA3IGF1RMAP2K1
SCHEMBL1654935 0.74 BRD4 (0.57) PTK2JAK2AURKARPS6KA3BRD4
SCHEMBL12528978 0.74 PTK2 (1.00) PTK2JAK2AURKARPS6KA3DAPK3
SCHEMBL4283813 0.74 PTK2 (0.48) PTK2JAK2AURKARPS6KA3DAPK3
SCHEMBL23110509 0.74 PTK2 (0.59) PTK2JAK2AURKARPS6KA3DAPK3
SCHEMBL27934423 0.73 JAK2 (0.55) PTK2JAK2AURKARPS6KA3JAK3
SCHEMBL27825162 0.73 PTK2 (0.56) PTK2JAK2AURKARPS6KA3DAPK3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US claimed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — 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 (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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 PTK2 175/4885JAK2 2/4885AURKA 755/4885

“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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