Sugi Predict

Sugi Predict / Compounds / SCHEMBL1655839

SCHEMBL1655839

SCHEMBL1655839

CS(=O)(=O)c1ccc(-n2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.67
▸ BRD4 O60885 15/20 0.67
▸ JAK1 P23458 3/20 0.66
▸ BRD2 P25440 3/20 0.66
▸ JAK3 P52333 3/20 0.66
▸ BRD3 Q15059 3/20 0.66
▸ BRDT Q58F21 3/20 0.66
▸ CDK4 P11802 4/20 0.66
▸ AURKA O14965 2/20 0.66
▸ CCNA2 P20248 2/20 0.57
▸ CCND1 P24385 2/20 0.57
▸ CDK2 P24941 2/20 0.57
▸ STAT6 P42226 1/20 0.54
▸ CCNE2 O96020 1/20 0.53
▸ FGFR1 P11362 1/20 0.53
▸ FGFR2 P21802 1/20 0.53
▸ FGFR4 P22455 1/20 0.53
▸ FGFR3 P22607 1/20 0.53
▸ CCNE1 P24864 1/20 0.53
▸ CCND2 P30279 1/20 0.53

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
SCHEMBL1657652 0.91 JAK2 (0.57) JAK2BRD4JAK1BRD2JAK3
SCHEMBL1655899 0.89 AURKA (0.81) JAK2BRD4JAK1BRD2JAK3
SCHEMBL1655187 0.88 AURKA (0.54) JAK2BRD4JAK1BRD2JAK3
SCHEMBL4283728 0.87 JAK2 (0.55) JAK2BRD4JAK1BRD2JAK3
SCHEMBL1657524 0.83 AURKA (0.59) JAK2BRD4JAK1BRD2JAK3
SCHEMBL1657463 0.83 JAK2 (0.65) JAK2BRD4JAK1BRD2JAK3
SCHEMBL1657468 0.83 AURKA (0.56) JAK2BRD4JAK1BRD2JAK3
SCHEMBL1655766 0.82 JAK2 (0.56) JAK2BRD4JAK1BRD2JAK3
SCHEMBL16580866 0.82 JAK2 (0.70) JAK2BRD4JAK1BRD2JAK3
SCHEMBL1654524 0.82 PTK2 (0.64) JAK2BRD4JAK3CDK4AURKA

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 9 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
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 964/4885JAK1 3/4885

“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.