SCHEMBL4449130

SCHEMBL4449130

CNC(=O)C12CCC(C)(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
FFAR3 O14843 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20103706 0.86 THRB (0.39) THRBCYP3A4SMN1; SMN2MAPK1RAB9A
SCHEMBL12736733 0.78 PKM (0.39) THRBPKMKDM4EKMT2A
SCHEMBL19271799 0.78 DGAT1 (0.40) RAB9APKM
SCHEMBL25975362 0.77 RAB9A (0.50) THRBCYP3A4SMN1; SMN2MAPK1RAB9A
SCHEMBL1679811 0.76 HSD11B1 (0.39) THRBCYP3A4MAPK1
SCHEMBL12858249 0.75 RAB9A (0.53) THRBSMN1; SMN2MAPK1RAB9APKM
SCHEMBL4317039 0.75 THRB (0.34) THRBPKM
SCHEMBL17132562 0.75 THRB (0.34) THRB
SCHEMBL19271801 0.75 GLA (0.32)
SCHEMBL13139424 0.73 POLB (0.37) THRBCYP3A4SMN1; SMN2MAPK1

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-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
EP-2136803-A1 TRIAZOLE DERIVATIVES WHICH ARE SMO ANTAGONISTS Merck & Co., Inc. (US) 2009-12-30 EP disclosed
WO-2008130552-A1 TRIAZOLE DERIVATIVES WHICH ARE SMO ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 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-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK1, IRAK3 THRB 1233/4885CYP3A4 1768/4885SMN1; SMN2 3024/4885

“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.