SCHEMBL14652102

SCHEMBL14652102

CC(C)[C@H]1CC[C@H](NC(=O)C(O)CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.40
KMT2A Q03164 2/20 0.39
HCRTR2 O43614 1/20 0.37
KDM1A O60341 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
EPHX1 P07099 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL14655005 0.85 SMYD3 (0.40) SMYD3KMT2AKDM1AL3MBTL1EPHX1
SCHEMBL15906225 0.82 EPHX1 (0.47) SMYD3KMT2AL3MBTL1EPHX1SMN1; SMN2
SCHEMBL15247302 0.82 SMYD3 (0.40) SMYD3KMT2AHCRTR2KDM1AL3MBTL1
SCHEMBL14652087 0.81 LMNA (0.42) SMYD3KMT2AHCRTR2KDM1AL3MBTL1
SCHEMBL14652091 0.81 LMNA (0.42) SMYD3KMT2AHCRTR2KDM1AL3MBTL1
SCHEMBL15730407 0.80 SMYD3 (0.41) SMYD3KMT2AHCRTR2KDM1AL3MBTL1
SCHEMBL15576297 0.80 SMYD3 (0.41) SMYD3KMT2AHCRTR2KDM1AL3MBTL1
SCHEMBL10216853 0.80 SMYD3 (0.41) SMYD3KMT2AHCRTR2KDM1AL3MBTL1
SCHEMBL25018761 0.77 PKM (0.40) SMYD3KMT2AHCRTR2KDM1AL3MBTL1
SCHEMBL14652108 0.77 SMYD3 (0.42) SMYD3KMT2AHCRTR2KDM1AATM

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 SMYD3 3232/4885KMT2A 1284/4885HCRTR2 4602/4885

“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.