SCHEMBL13340916

SCHEMBL13340916

CCN1C(=O)C(C)(C)Oc2cc(C(C)C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.39
RXRA P19793 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
NR3C2 P08235 1/20 0.36
USP2 O75604 2/20 0.36
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
PRTN3 P24158 1/20 0.35
PGR P06401 1/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL13367716 0.89 SLC9A1 (0.37) SLC9A1RXRAALDH1A1MAPTRECQL
SCHEMBL13340925 0.89 OPRD1 (0.43) SLC9A1ALDH1A1MAPTRECQLKMT2A
SCHEMBL13340990 0.86 SLC9A1 (0.37) SLC9A1ALDH1A1MAPTRECQLKMT2A
SCHEMBL13340907 0.85 KMT2A (0.36) ALDH1A1KMT2APOLBPGRMEN1
SCHEMBL13340988 0.83 CRHR1 (0.36) SLC9A1ALDH1A1MAPTRECQLKMT2A
SCHEMBL13340985 0.83 OPRK1 (0.42) SLC9A1ALDH1A1MAPTKMT2APOLB
SCHEMBL13340926 0.83 SLC9A1 (0.35) SLC9A1ALDH1A1MAPTKMT2APOLB
SCHEMBL13340973 0.82 NR3C2 (0.38) ALDH1A1MAPTKMT2ANR3C2PGR
SCHEMBL8738570 0.81 PDE3B (0.46) SLC9A1KMT2APOLBNR3C2PGR
SCHEMBL13367651 0.81 RXRA (0.43) SLC9A1RXRAALDH1A1MAPTRECQL

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-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ SLC9A1 1869/4885RXRA 4020/4885ALDH1A1 3843/4885

“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.