SCHEMBL2460139

SCHEMBL2460139

CC(C)(C)OC(=O)N1CCC(Cn2c(-c3ccccc3Cl)cc3cnc(Cl)nc32)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
USP30 Q70CQ3 2/20 0.40
TGFBR1 P36897 1/20 0.39
MERTK Q12866 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
DGAT2 Q96PD7 2/20 0.39
PIK3CD O00329 1/20 0.39
JAK3 P52333 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL2460141 1.00 CCNT1 (0.43) CCNT1CDK9CNR1CNR2PARP1
SCHEMBL2461548 1.00 CCNT1 (0.43) CCNT1CDK9CNR1CNR2PARP1
SCHEMBL2460169 0.95 IRAK1 (0.42) CCNT1CDK9CNR1CNR2MEN1
SCHEMBL2460173 0.95 IRAK1 (0.42) CCNT1CDK9CNR1CNR2MEN1
SCHEMBL2462554 0.95 IRAK1 (0.42) CCNT1CDK9CNR1CNR2MEN1
SCHEMBL2461546 0.88 FEN1 (0.42) CCNT1CDK9CNR1ALOX5APFEN1
SCHEMBL2461542 0.88 FEN1 (0.42) CCNT1CDK9CNR1ALOX5APFEN1
SCHEMBL2465439 0.87 EPHA2 (0.40) CNR1CNR2USP30MAPT
SCHEMBL2456779 0.87 FNTA (0.43) CCNT1CDK9CNR1CNR2MEN1
SCHEMBL2456782 0.87 FNTA (0.43) CCNT1CDK9CNR1CNR2MEN1

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 1 patent. 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

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 CCNT1 3133/4885CDK9 521/4885CNR1 1664/4885

“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.