Sugi Predict

Sugi Predict / Compounds / SCHEMBL1655880

SCHEMBL1655880

SCHEMBL1655880

CN1CCN(c2ccc(Nc3ncc4ccn(-c5ccc(C#N)cc5)c4n3)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.59
▸ CDK4 P11802 4/20 0.59
▸ RPS6KA3 P51812 1/20 0.56
▸ JAK2 O60674 15/20 0.56
▸ BRD4 O60885 15/20 0.56
▸ JAK1 P23458 4/20 0.50
▸ BRD2 P25440 4/20 0.50
▸ JAK3 P52333 4/20 0.50
▸ BRD3 Q15059 4/20 0.50
▸ BRDT Q58F21 4/20 0.50
▸ INSR P06213 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ NTRK2 Q16620 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
SCHEMBL1655073 0.87 JAK2 (0.49) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL1655945 0.86 CDK4 (0.60) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL1654963 0.85 RPS6KA3 (0.57) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL1655760 0.84 CDK4 (0.58) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL1657623 0.83 CDK4 (0.56) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL1654939 0.82 AURKA (0.55) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL1655015 0.82 AURKA (0.55) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL13746148 0.80 RPS6KA3 (0.60) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL1657643 0.79 JAK2 (0.56) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL1657471 0.78 RPS6KA3 (0.60) AURKACDK4RPS6KA3JAK2BRD4

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
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
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 AURKA 755/4885CDK4 186/4885RPS6KA3 303/4885

“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.