SCHEMBL1655347

SCHEMBL1655347

Cc1ccc(Nc2ncc3ccn(-c4ccc(C(=O)N5CCS(=O)(=O)CC5)cc4)c3n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.52
BRD4 O60885 5/20 0.52
MAPK10 P53779 1/20 0.48
PTK2 Q05397 3/20 0.47
AURKA O14965 4/20 0.47
CDK4 P11802 4/20 0.47
RPS6KA3 P51812 2/20 0.45
GRM5 P41594 1/20 0.45
ABL1 P00519 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
MAPK14 Q16539 1/20 0.44
FGFR4 P22455 1/20 0.43
AXL P30530 1/20 0.43
MAP3K7 O43318 1/20 0.42
MAP2K1 Q02750 1/20 0.42

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
SCHEMBL1655344 0.93 JAK2 (0.52) JAK2BRD4MAPK10PTK2AURKA
SCHEMBL4291702 0.89 PTK2 (0.51) JAK2BRD4PTK2AURKACDK4
SCHEMBL1654968 0.88 MAPK10 (0.62) JAK2BRD4MAPK10PTK2AURKA
SCHEMBL4291699 0.82 PTK2 (0.51) JAK2BRD4PTK2AURKACDK4
SCHEMBL1655879 0.81 JAK2 (0.65) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL1654494 0.79 JAK2 (0.54) JAK2BRD4PTK2AURKACDK4
SCHEMBL4286256 0.79 JAK2 (0.63) JAK2BRD4PTK2AURKACDK4
SCHEMBL1657497 0.79 JAK2 (0.51) JAK2BRD4MAPK10PTK2AURKA
SCHEMBL4291814 0.77 JAK2 (0.52) JAK2BRD4MAPK10PTK2AURKA
SCHEMBL1654951 0.77 RPS6KA3 (0.59) JAK2BRD4MAPK10PTK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011511034-A 2011-04-07 JP claimed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP claimed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US claimed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO 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

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 JAK2 2/4885BRD4 964/4885MAPK10 81/4885

“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.