SCHEMBL13367653

SCHEMBL13367653

Cc1ccc2c(c1)oc(=O)n2CCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.65
MET P08581 4/20 0.59
MIF P14174 2/20 0.54
EGFR P00533 2/20 0.51
SRC P12931 1/20 0.51
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
CREBBP Q92793 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
TMEM97 Q5BJF2 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
SCHEMBL13341140 0.83 SIGMAR1 (0.61) SIGMAR1METEGFRPOLBNOS3
SCHEMBL16601590 0.79 MIF (0.61) METMIFPOLBLMNAMAPT
SCHEMBL12124495 0.77 HTR2A (0.61) TMEM97
SCHEMBL12124504 0.77 SLC6A2 (0.61)
SCHEMBL13367743 0.76 MIF (0.66) MIFPOLBLMNATSHR
SCHEMBL2149119 0.76 MIF (0.62) METMIFLMNAMAPTTSHR
SCHEMBL5717794 0.76 MIF (0.58) METMIFPOLBLMNAMAPT
SCHEMBL13946739 0.76 SLC6A2 (0.74) SIGMAR1MAPT
SCHEMBL31757917 0.76 TMEM97 (0.57) SIGMAR1EGFRSRCPOLBNOS3
SCHEMBL8349922 0.75 HTR7 (0.50) SIGMAR1LMNAMAPTTSHRCREBBP

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-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

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 SIGMAR1 3131/4885MET 2687/4885MIF 4047/4885

“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.