SCHEMBL1655490

SCHEMBL1655490

CC(C)Oc1ccc(Nc2ncc3ccn(-c4ccc(N5CCNCC5=O)cc4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.47
CCND1 P24385 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
JAK2 O60674 11/20 0.46
BRD4 O60885 10/20 0.46
JAK3 P52333 3/20 0.46
JAK1 P23458 2/20 0.46
BRD2 P25440 2/20 0.46
BRD3 Q15059 2/20 0.46
BRDT Q58F21 2/20 0.46
AURKA O14965 4/20 0.45
PTK2 Q05397 2/20 0.45
DAPK3 O43293 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45

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
SCHEMBL1656337 0.87 JAK2 (0.47) CDK4CCND1CCNA2CDK2JAK2
SCHEMBL27916042 0.80 JAK2 (0.46) CDK4CCND1CCNA2CDK2JAK2
SCHEMBL13756692 0.80 PTK2 (0.53) CDK4JAK2BRD4JAK3AURKA
SCHEMBL1655143 0.79 PTK2 (0.52) CDK4JAK2BRD4JAK3AURKA
SCHEMBL1655159 0.78 PTK2 (0.54) CDK4JAK2BRD4JAK3JAK1
SCHEMBL1655231 0.78 AURKA (0.54) CDK4CDK2JAK2BRD4JAK3
SCHEMBL1655335 0.78 PTK2 (0.53) CDK4JAK2BRD4JAK3AURKA
SCHEMBL27934451 0.77 PTK2 (0.50) CDK4JAK2BRD4JAK3AURKA
SCHEMBL1656301 0.77 PTK2 (0.48) CDK4JAK2BRD4JAK3AURKA
SCHEMBL1655331 0.76 BRD4 (0.62) CDK4JAK2BRD4AURKAIGF1R

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 CDK4 186/4885CCND1 1290/4885CCNA2 958/4885

“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.