Sugi Predict

Sugi Predict / Compounds / SCHEMBL1656334

SCHEMBL1656334

SCHEMBL1656334

O=C(c1ccc(-n2ccc3cnc(Nc4ccc(CN5CCOCC5)cc4)nc32)cc1F)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.53
▸ STAT6 P42226 7/20 0.53
▸ JAK2 O60674 6/20 0.51
▸ BRD4 O60885 6/20 0.51
▸ JAK3 P52333 4/20 0.51
▸ JAK1 P23458 2/20 0.51
▸ BRD2 P25440 2/20 0.51
▸ BRD3 Q15059 2/20 0.51
▸ BRDT Q58F21 2/20 0.51
▸ CSF1R P07333 1/20 0.51
▸ EGFR P00533 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48

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
SCHEMBL1655371 0.95 JAK2 (0.57) RPS6KA3STAT6JAK2BRD4JAK3
SCHEMBL1655339 0.94 JAK2 (0.50) RPS6KA3STAT6JAK2BRD4JAK3
SCHEMBL1655006 0.93 JAK2 (0.49) RPS6KA3STAT6JAK2BRD4JAK3
SCHEMBL4291476 0.90 RPS6KA3 (0.53) RPS6KA3STAT6JAK2BRD4JAK3
SCHEMBL1655057 0.90 RPS6KA3 (0.58) RPS6KA3STAT6JAK2BRD4JAK3
SCHEMBL4287912 0.90 JAK2 (0.47) RPS6KA3STAT6JAK2BRD4JAK3
SCHEMBL4288436 0.89 JAK2 (0.52) RPS6KA3STAT6JAK2BRD4JAK3
SCHEMBL1655141 0.89 RPS6KA3 (0.56) RPS6KA3STAT6JAK2BRD4JAK3
SCHEMBL1654818 0.87 JAK2 (0.55) RPS6KA3STAT6JAK2BRD4JAK3
SCHEMBL1656013 0.86 JAK2 (0.52) RPS6KA3JAK2BRD4JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US claimed
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
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 RPS6KA3 303/4885STAT6 601/4885JAK2 2/4885

“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.