SCHEMBL1654992

SCHEMBL1654992

COCCn1cc(Nc2ncc3ccn(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.50
RPS6KA3 P51812 2/20 0.49
JAK3 P52333 8/20 0.45
JAK2 O60674 7/20 0.45
JAK1 P23458 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
LRRK2 Q5S007 1/20 0.44
STAT6 P42226 2/20 0.42
TYK2 P29597 1/20 0.42
HDAC1 Q13547 1/20 0.42
AURKA O14965 2/20 0.42
CDK4 P11802 2/20 0.42
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL1655241 0.90 RPS6KA3 (0.54) EIF2AK4RPS6KA3JAK3JAK2JAK1
SCHEMBL1655119 0.88 RPS6KA3 (0.49) EIF2AK4RPS6KA3JAK3JAK2JAK1
SCHEMBL1656330 0.85 RPS6KA3 (0.49) EIF2AK4RPS6KA3JAK3JAK2JAK1
SCHEMBL1657599 0.85 RPS6KA3 (0.51) RPS6KA3JAK3JAK2JAK1STAT6
SCHEMBL1657475 0.83 RPS6KA3 (0.55) RPS6KA3JAK3JAK2JAK1STAT6
SCHEMBL1654501 0.83 RPS6KA3 (0.57) RPS6KA3JAK3JAK2STAT6TYK2
SCHEMBL3396199 0.82 RPS6KA3 (0.51) RPS6KA3JAK3JAK2LRRK2STAT6
SCHEMBL4283758 0.82 STAT6 (0.58) RPS6KA3JAK3JAK2STAT6AURKA
SCHEMBL1654507 0.82 RPS6KA3 (0.56) RPS6KA3JAK3JAK2JAK1STAT6
SCHEMBL13756760 0.82 LRRK2 (0.44) JAK3JAK2JAK1LRRK2STAT6

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
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 EIF2AK4 571/4885RPS6KA3 303/4885JAK3 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.