SCHEMBL4290087

SCHEMBL4290087

Cc1ccc(Nc2ncc3ccn(-c4ccc(C(=O)N5CCN(CCO)CC5)cc4)c3n2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.53
BRD4 O60885 9/20 0.53
PTK2 Q05397 3/20 0.47
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
ABL1 P00519 1/20 0.46
KIT P10721 1/20 0.46
SRC P12931 1/20 0.46
MAPK14 Q16539 1/20 0.46
JAK1 P23458 1/20 0.46
RPS6KA3 P51812 1/20 0.45
FGFR4 P22455 1/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 1/20 0.45
CCND2 P30279 1/20 0.45
CCND3 P30281 1/20 0.45
JAK3 P52333 1/20 0.44
AURKA O14965 1/20 0.43

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
SCHEMBL4286256 0.91 JAK2 (0.63) JAK2BRD4PTK2PDGFRBPDGFRA
SCHEMBL1654994 0.89 BRD4 (0.55) JAK2BRD4PTK2RPS6KA3CDK4
SCHEMBL1655106 0.86 RPS6KA3 (0.54) JAK2BRD4PTK2RPS6KA3CDK4
SCHEMBL28805366 0.85 JAK2 (0.43) JAK2BRD4PTK2RPS6KA3CDK4
SCHEMBL1655182 0.80 JAK2 (0.52) JAK2BRD4PDGFRBPDGFRAABL1
SCHEMBL1655850 0.80 BRD4 (0.65) JAK2BRD4RPS6KA3CDK4AURKA
SCHEMBL1655039 0.79 RPS6KA3 (0.61) JAK2BRD4PTK2JAK1RPS6KA3
SCHEMBL1655325 0.78 JAK2 (0.57) JAK2BRD4JAK1RPS6KA3CDK4
SCHEMBL1655379 0.78 JAK2 (0.42) JAK2BRD4PTK2RPS6KA3JAK3
SCHEMBL1655879 0.78 JAK2 (0.65) JAK2BRD4PDGFRBPDGFRAABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US claimed
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN disclosed
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 JAK2 2/4885BRD4 964/4885PTK2 175/4885

“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.