SCHEMBL2456782

SCHEMBL2456782

CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)cc3cnc(Cl)nc32)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CNR1 P21554 2/20 0.42
FEN1 P39748 2/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX5AP P20292 1/20 0.40
CYP2C9 P11712 1/20 0.40
IRAK1 P51617 1/20 0.40
CNR2 P34972 1/20 0.40
DPP4 P27487 2/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
ANO1 Q5XXA6 2/20 0.39
CHEK2 O96017 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL2456779 1.00 FNTA (0.43) FNTAFNTBCNR1FEN1ALDH1A1
SCHEMBL2465719 0.94 FEN1 (0.41) FNTAFNTBCNR1FEN1ALOX5AP
SCHEMBL2465716 0.94 FEN1 (0.41) FNTAFNTBCNR1FEN1ALOX5AP
SCHEMBL2465419 0.92 CHEK2 (0.43) FNTAFNTBFEN1ALOX5APCYP2C9
SCHEMBL2465420 0.92 CHEK2 (0.43) FNTAFNTBFEN1ALOX5APCYP2C9
SCHEMBL2460173 0.92 IRAK1 (0.42) FNTAFNTBCNR1FEN1ALOX5AP
SCHEMBL2460169 0.92 IRAK1 (0.42) FNTAFNTBCNR1FEN1ALOX5AP
SCHEMBL2462554 0.92 IRAK1 (0.42) FNTAFNTBCNR1FEN1ALOX5AP
SCHEMBL2461542 0.88 FEN1 (0.42) FNTAFNTBCNR1FEN1ALOX5AP
SCHEMBL2461546 0.88 FEN1 (0.42) FNTAFNTBCNR1FEN1ALOX5AP

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 4 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
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
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 FNTA 2790/4885FNTB 2235/4885CNR1 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.