Sugi Predict

Sugi Predict / Compounds / SCHEMBL1655182

SCHEMBL1655182

SCHEMBL1655182

Cc1ccc(Nc2ncc3ccn(-c4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1CN1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.52
▸ BRD4 O60885 9/20 0.52
▸ RPS6KA3 P51812 2/20 0.48
▸ AURKA O14965 3/20 0.46
▸ CDK4 P11802 3/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ PDGFRB P09619 2/20 0.45
▸ PDGFRA P16234 2/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ FGFR4 P22455 1/20 0.44
▸ MAP3K7 O43318 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.43

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
SCHEMBL1655050 0.89 JAK2 (0.49) JAK2BRD4RPS6KA3AURKACDK4
SCHEMBL1655106 0.86 RPS6KA3 (0.54) JAK2BRD4RPS6KA3CDK4LRRK2
SCHEMBL4288436 0.84 JAK2 (0.52) JAK2BRD4RPS6KA3CDK4
SCHEMBL1655039 0.84 RPS6KA3 (0.61) JAK2BRD4RPS6KA3CDK4LRRK2
SCHEMBL4286256 0.84 JAK2 (0.63) JAK2BRD4RPS6KA3AURKACDK4
SCHEMBL3402199 0.84 RPS6KA3 (0.50) JAK2BRD4RPS6KA3AURKACDK4
SCHEMBL1654515 0.83 PTK2 (0.59) JAK2BRD4RPS6KA3AURKALRRK2
SCHEMBL27804045 0.83 RPS6KA3 (0.56) JAK2BRD4RPS6KA3AURKACDK4
SCHEMBL1654952 0.82 JAK2 (0.57) JAK2BRD4RPS6KA3AURKACDK4
SCHEMBL1655094 0.82 JAK2 (0.55) JAK2BRD4RPS6KA3CDK4LRRK2

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 JAK2 2/4885BRD4 964/4885RPS6KA3 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.