SCHEMBL2611053

SCHEMBL2611053

CC(C)c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.56
GRIA1 P42261 2/20 0.50
CACNG8 Q8WXS5 2/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
KIF11 P52732 1/20 0.49
PDK2 Q15119 1/20 0.48
EPHX2 P34913 1/20 0.47
PGR P06401 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL25899777 0.86 AHR (0.53) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL265219 0.86 AHR (0.53) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL7038460 0.86 AHR (0.57) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL24192217 0.86 AHR (0.53) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL21983115 0.86 AHR (0.53) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL24191820 0.86 AHR (0.53) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL26025060 0.86 AHR (0.56) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL2607637 0.86 AHR (0.56) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL2611074 0.84 KIF11 (0.66) PDE3BPDE3AKIF11HPGDGFER
SCHEMBL24192091 0.83 AHR (0.50) AHRGRIA1CACNG8PDE3BPDE3A

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 184 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 EP disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-20240025851-A1 Modulators of BCL6 as Ligand Directed Degraders CELGENE CORPORATION (US) 2024-01-25 US disclosed
US-11858946-B2 Small molecules active against gram-negative bacteria THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-01-02 US disclosed
WO-2023239892-A1 COMPOUNDS FOR MODULATION OF CD68 AND USES THEREOF ARKUDA THERAPEUTICS (US) 2023-12-14 WO disclosed
EP-2004640-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS Pfizer Products Inc. (US) 2008-12-24 EP disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
EP-1869029-A1 AN OXINDOLE OXAZOLIDINONE AS ANTIBACTERIAL AGENT Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
WO-2007091147-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed
WO-2007087488-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-02 WO disclosed
WO-2006106426-A1 AN OXINDOLE OXAZOLIDINONE AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-12 WO disclosed
US-RE29882-E SALT FORMATION, REARRANGEMENT, DESULFURIZATION OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1979-01-16 US disclosed
US-4056569-A Ortho-[(alkylthio)(aminocarbonyl)methyl]anilines THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1977-11-01 US disclosed
US-3996264-A Synthesis of oxindoles from anilines and intermediates therein THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-12-07 US disclosed
US-3972894-A Synthesis of oxindoles from anilines and β-thio carboxylic esters or amides THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-08-03 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 (7 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-11912703-B2 6-azaindole compounds TLR7, TLR9, TLR5 AHR 906/4885GRIA1 36/4885CACNG8 1379/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA AHR 4129/4885GRIA1 2029/4885CACNG8 4075/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 AHR 2465/4885GRIA1 396/4885CACNG8 884/4885
US-20240025851-A1 Modulators of BCL6 as Ligand Directed Degraders BCL6, BCL6B, BCL3 AHR 313/4885GRIA1 2966/4885CACNG8 4399/4885
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 AHR 1869/4885GRIA1 832/4885CACNG8 4394/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 AHR 79/4885GRIA1 61/4885CACNG8 745/4885
US-11858946-B2 Small molecules active against gram-negative bacteria PGLS, MRPL21, CLPP AHR 4279/4885GRIA1 3620/4885CACNG8 2185/4885

“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.