Sugi Predict

Sugi Predict / Compounds / SCHEMBL1655174

SCHEMBL1655174

SCHEMBL1655174

N#Cc1ccc(Nc2ncc3ccn(-c4ccc(C(=O)N5CCOCC5)cc4)c3n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 2/20 0.51
▸ JAK2 O60674 7/20 0.50
▸ LRRK2 Q5S007 2/20 0.50
▸ CDK4 P11802 3/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CDK3 Q00526 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ BRD4 O60885 4/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ PTK2 Q05397 3/20 0.45
▸ PLK4 O00444 1/20 0.43
▸ NTRK1 P04629 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
SCHEMBL27934417 0.90 JAK2 (0.50) RPS6KA3JAK2CDK4CCNT1CDK1
SCHEMBL1655851 0.90 JAK2 (0.54) RPS6KA3JAK2LRRK2CDK4CCNT1
SCHEMBL1655233 0.87 RPS6KA3 (0.53) RPS6KA3JAK2LRRK2CDK4CDK6
SCHEMBL1654968 0.87 MAPK10 (0.62) RPS6KA3JAK2LRRK2CDK4CCNT1
SCHEMBL1654951 0.87 RPS6KA3 (0.59) RPS6KA3JAK2LRRK2CDK4CCNT1
SCHEMBL1656195 0.84 RPS6KA3 (0.53) RPS6KA3JAK2LRRK2CDK4CCNT1
SCHEMBL4291814 0.84 JAK2 (0.52) RPS6KA3JAK2LRRK2CDK4CCNT1
SCHEMBL1655106 0.82 RPS6KA3 (0.54) RPS6KA3JAK2LRRK2CDK4CCNT1
SCHEMBL4288528 0.82 LRRK2 (0.50) RPS6KA3JAK2LRRK2CDK4CCNT1
SCHEMBL4292063 0.82 JAK2 (0.54) RPS6KA3JAK2LRRK2CDK4CCNT1

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
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

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 303/4885JAK2 2/4885LRRK2 440/4885

“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.