SCHEMBL2463486

SCHEMBL2463486

CC(C)(C)OC(=O)N1CC[C@@H](CNc2nc(Cl)ncc2Br)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.54
TDO2 P48775 1/20 0.54
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
IRAK1 P51617 1/20 0.46
BCDIN3D Q7Z5W3 1/20 0.45
SYK P43405 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
ACKR3 P25106 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MERTK Q12866 1/20 0.41
IGF1R P08069 1/20 0.40
PIK3CD O00329 1/20 0.40
USP30 Q70CQ3 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL2460443 1.00 IDO1 (0.54) IDO1TDO2CCNT1CDK9IRAK1
SCHEMBL2460448 1.00 IDO1 (0.54) IDO1TDO2CCNT1CDK9IRAK1
SCHEMBL2459367 0.94 IRAK1 (0.52) IDO1TDO2CCNT1CDK9IRAK1
SCHEMBL2459363 0.94 IRAK1 (0.52) IDO1TDO2CCNT1CDK9IRAK1
SCHEMBL17764590 0.94 BCDIN3D (0.51) IDO1TDO2CCNT1CDK9BCDIN3D
SCHEMBL16337782 0.90 IDO1 (0.51) IDO1TDO2CCNT1CDK9IRAK1
SCHEMBL16337321 0.90 IDO1 (0.51) IDO1TDO2CCNT1CDK9IRAK1
SCHEMBL15056440 0.90 IDO1 (0.51) IDO1TDO2CCNT1CDK9IRAK1
SCHEMBL15056511 0.89 IDO1 (0.50) IDO1TDO2CCNT1CDK9IRAK1
SCHEMBL15056512 0.89 IDO1 (0.50) IDO1TDO2CCNT1CDK9IRAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218189-A1 PYRROLO[2,3-d]PYRIMIDIN-2-YL-AMINE DERIVATIVES AS PKC-THETA INHIBITORS N.V. ORGANON (NL) 2011-09-08 US disclosed
WO-2009124965-A1 PYRROLO[2,3-d]PYRIMIDIN-2-YL-AMINE DERIVATIVES AS PKC-THETA INHIBITORS N.V. ORGANON (NL) 2009-10-15 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-20110218189-A1 PYRROLO[2,3-d]PYRIMIDIN-2-YL-AMINE DERIVATIVES AS PKC-THETA INHIBITORS PRKCZ, PRKCQ, PRKCD IDO1 1771/4885TDO2 1909/4885CCNT1 3133/4885

“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.