SCHEMBL1655191

SCHEMBL1655191

Cc1cc(Nc2ncc3ccn(-c4cc(F)c(C(O)(O)N5CCSCC5)c(F)c4)c3n2)cc(C)c1OCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.47
SYK P43405 2/20 0.45
JAK3 P52333 2/20 0.38
PTK2 Q05397 6/20 0.38
JAK2 O60674 3/20 0.38
BRD4 O60885 3/20 0.38
EGFR P00533 1/20 0.37
BTK Q06187 1/20 0.37
LCK P06239 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
JAK1 P23458 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
STAT6 P42226 2/20 0.36
AURKA O14965 1/20 0.36
CDK4 P11802 1/20 0.36

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
SCHEMBL3396199 0.84 RPS6KA3 (0.51) RPS6KA3SYKJAK3PTK2JAK2
SCHEMBL4288938 0.82 RPS6KA3 (0.45) RPS6KA3JAK3JAK2BRD4EGFR
SCHEMBL1657502 0.82 RPS6KA3 (0.45) RPS6KA3JAK3JAK2BRD4JAK1
SCHEMBL1655193 0.81 RPS6KA3 (0.48) RPS6KA3SYKJAK3PTK2JAK2
SCHEMBL4286086 0.79 RPS6KA3 (0.44) RPS6KA3JAK3JAK2BRD4EGFR
SCHEMBL1655189 0.79 RPS6KA3 (0.46) RPS6KA3SYKJAK3PTK2JAK2
SCHEMBL4294986 0.79 PTK2 (0.47) RPS6KA3JAK3PTK2JAK2BRD4
SCHEMBL4284002 0.79 RPS6KA3 (0.47) RPS6KA3SYKJAK3JAK2BRD4
SCHEMBL4291763 0.79 RPS6KA3 (0.49) RPS6KA3JAK3PTK2JAK2BRD4
SCHEMBL1655281 0.78 RPS6KA3 (0.46) RPS6KA3JAK3JAK2BRD4JAK1

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
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

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 RPS6KA3 303/4885SYK 90/4885JAK3 16/4885

“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.