Sugi Predict

Sugi Predict / Compounds / SCHEMBL3402199

SCHEMBL3402199

SCHEMBL3402199

Cc1ccc(Nc2ncc3ccn(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)cc1CN1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 2/20 0.50
▸ AURKA O14965 3/20 0.46
▸ CDK4 P11802 3/20 0.46
▸ JAK2 O60674 11/20 0.46
▸ BRD4 O60885 11/20 0.46
▸ JAK1 P23458 2/20 0.45
▸ BRD2 P25440 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ BRD3 Q15059 2/20 0.45
▸ BRDT Q58F21 2/20 0.45
▸ STAT6 P42226 3/20 0.45
▸ AXL P30530 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
SCHEMBL1654915 0.92 RPS6KA3 (0.47) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL1654764 0.92 RPS6KA3 (0.48) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1655234 0.92 RPS6KA3 (0.49) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL4291665 0.91 RPS6KA3 (0.46) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL4291921 0.91 RPS6KA3 (0.46) RPS6KA3AURKAJAK2BRD4JAK1
SCHEMBL1655357 0.91 RPS6KA3 (0.49) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL1655382 0.91 RPS6KA3 (0.45) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL1655183 0.90 RPS6KA3 (0.49) RPS6KA3AURKAJAK2BRD4STAT6
SCHEMBL1655286 0.90 RPS6KA3 (0.47) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL1655276 0.90 RPS6KA3 (0.49) RPS6KA3AURKACDK4JAK2BRD4

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
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US 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 303/4885AURKA 755/4885CDK4 186/4885

“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.