SCHEMBL949827

SCHEMBL949827

CN(C(=O)c1ccc(B(O)O)cc1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDK2 Q15119 3/20 0.42
HPGD P15428 1/20 0.40
USP30 Q70CQ3 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CCR5 P51681 1/20 0.40
ALOX15 P16050 1/20 0.39
FASN P49327 2/20 0.39
BRD4 O60885 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL29954467 0.92 ALDH1A1 (0.56) ALDH1A1GAASMN1; SMN2POLBNPC1
SCHEMBL28506409 0.88 MCHR1 (0.48) ALDH1A1L3MBTL1PDK2USP30LMNA
SCHEMBL28506326 0.82 MCHR1 (0.58) USP30CCR5
SCHEMBL28517193 0.82 L3MBTL1 (0.37) ALDH1A1GAASMN1; SMN2L3MBTL1POLB
SCHEMBL16907559 0.80 PDK2 (0.58) ALDH1A1GAASMN1; SMN2L3MBTL1POLB
SCHEMBL15976796 0.79 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2L3MBTL1POLB
SCHEMBL14320321 0.79 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2L3MBTL1POLB
SCHEMBL21590246 0.79 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2L3MBTL1POLB
SCHEMBL3840449 0.78 CCR3 (0.51) ALDH1A1GAASMN1; SMN2L3MBTL1PDK2
SCHEMBL9001766 0.78 ALDH1A1 (0.66) ALDH1A1GAASMN1; SMN2POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
EP-2247597-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2010-11-10 EP disclosed
WO-2009100171-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 WO disclosed
WO-2009100171-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 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-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF NFKB2, NFKBIA, AP1G1 ALDH1A1 2576/4885GAA 4440/4885SMN1; SMN2 3957/4885

“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.