SCHEMBL16744210

SCHEMBL16744210

CC(C)c1cc2c(cc1C(C)C)NC(=O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.46
CMA1 P23946 2/20 0.46
EIF2AK2 P19525 1/20 0.44
PDK2 Q15119 1/20 0.42
GRIA1 P42261 2/20 0.41
CACNG8 Q8WXS5 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
EPHX2 P34913 1/20 0.39
CRBN Q96SW2 1/20 0.39
PGR P06401 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
KIF11 P52732 1/20 0.37
SMYD3 Q9H7B4 3/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL19710584 0.86 AHR (0.49) AHRCMA1EIF2AK2PDK2GRIA1
SCHEMBL4660496 0.86 AHR (0.41) AHRCMA1EIF2AK2PDK2GRIA1
SCHEMBL4661785 0.81 PGR (0.43) AHRCMA1EIF2AK2PDK2GRIA1
SCHEMBL31010750 0.79 AHR (0.59) AHRCMA1EIF2AK2PDK2GRIA1
SCHEMBL17947495 0.74
SCHEMBL2607637 0.74 AHR (0.56) AHRCMA1EIF2AK2PDK2GRIA1
SCHEMBL2611053 0.74 AHR (0.56) AHRCMA1PDK2GRIA1CACNG8
SCHEMBL5503130 0.74 AR (0.40) AHRCMA1EIF2AK2PDK2GRIA1
SCHEMBL1436084 0.74 GRIA1 (0.53) AHRCMA1EIF2AK2PDK2GRIA1
SCHEMBL16744233 0.73 CYP11B1 (0.40) AHRCMA1PDE3BPDE3AKIF11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018133793-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR AND USES THEREOF 广东东阳光药业有限公司 2018-07-26 WO disclosed
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 US disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 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 (2 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-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 AHR 1467/4885CMA1 4676/4885EIF2AK2 2115/4885
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 AHR 1467/4885CMA1 4676/4885EIF2AK2 2115/4885

“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.