SCHEMBL1655760

SCHEMBL1655760

CC(O)c1ccc(-n2ccc3cnc(Nc4ccc(N5CCN(C)CC5)nc4)nc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.58
AURKA O14965 4/20 0.58
RPS6KA3 P51812 1/20 0.58
JAK2 O60674 13/20 0.55
BRD4 O60885 13/20 0.55
JAK1 P23458 3/20 0.49
BRD2 P25440 3/20 0.49
JAK3 P52333 3/20 0.49
BRD3 Q15059 3/20 0.49
BRDT Q58F21 3/20 0.49
MAP3K7 O43318 1/20 0.49
MAP2K1 Q02750 1/20 0.49
CDK1 P06493 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
FGFR1 P11362 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 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
SCHEMBL1655015 0.90 AURKA (0.55) CDK4AURKARPS6KA3JAK2BRD4
SCHEMBL1657623 0.89 CDK4 (0.56) CDK4AURKARPS6KA3JAK2BRD4
SCHEMBL1655945 0.85 CDK4 (0.60) CDK4AURKARPS6KA3JAK2BRD4
SCHEMBL1655880 0.84 AURKA (0.59) CDK4AURKARPS6KA3JAK2BRD4
SCHEMBL1654939 0.81 AURKA (0.55) CDK4AURKARPS6KA3JAK2BRD4
SCHEMBL13746148 0.80 RPS6KA3 (0.60) CDK4AURKARPS6KA3JAK2BRD4
SCHEMBL1657471 0.79 RPS6KA3 (0.60) CDK4AURKARPS6KA3JAK2BRD4
SCHEMBL1657643 0.78 JAK2 (0.56) CDK4AURKARPS6KA3JAK2BRD4
SCHEMBL1654963 0.78 RPS6KA3 (0.57) CDK4AURKARPS6KA3JAK2BRD4
SCHEMBL29277206 0.77 AURKA (0.77) CDK4AURKARPS6KA3JAK2BRD4

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 CDK4 186/4885AURKA 755/4885RPS6KA3 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.