SCHEMBL14652106

SCHEMBL14652106

CC(C)[C@H]1CC[C@H](NC(=O)C2(CN)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.41
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
SSTR4 P31391 2/20 0.33
HCRTR2 O43614 1/20 0.33
OPRL1 P41146 3/20 0.32
OPRM1 P35372 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM5A P29375 1/20 0.32

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
SCHEMBL14655006 0.87 MME (0.42) MMECSNK2A2CSNK2A1SMYD3SSTR4
SCHEMBL15906227 0.82 EPHX1 (0.44) MMECSNK2A2CSNK2A1SSTR4
SCHEMBL14652098 0.79 OPRL1 (0.36) MMESMYD3HCRTR2OPRL1OPRM1
SCHEMBL14652117 0.77 KDM5A (0.38) MMESMYD3HCRTR2OPRL1OPRM1
SCHEMBL14652103 0.76 OPRL1 (0.35) MMESMYD3HCRTR2OPRL1OPRM1
SCHEMBL14652101 0.76 MME (0.37) MMESMYD3HCRTR2OPRL1OPRM1
SCHEMBL14652083 0.76 SMYD3 (0.50) SMYD3
SCHEMBL15247301 0.75 SMYD3 (0.38) SMYD3HCRTR2LMNAL3MBTL1
SCHEMBL18232512 0.75 SMYD3 (0.38) SMYD3HCRTR2LMNAL3MBTL1
SCHEMBL12303982 0.70 DPP4 (0.47) SMYD3HCRTR2L3MBTL1

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-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 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-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS STK25, MAP3K15, MAP3K5 MME 4725/4885CSNK2A2 123/4885CSNK2A1 84/4885

“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.