SCHEMBL6872249

SCHEMBL6872249

Cc1ccc2c(c1)C(=O)CCC(=O)N2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.49
ROS1 P08922 1/20 0.49
ACVR1 Q04771 1/20 0.49
LRRK2 Q5S007 1/20 0.49
EPHX2 P34913 1/20 0.49
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
MMP12 P39900 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 3/20 0.43
CSNK1G1 Q9HCP0 1/20 0.42
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNB2 O95067 1/20 0.40

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
SCHEMBL1184463 0.86 MMP12 (0.47) CDK5ROS1ACVR1LRRK2EPHX2
SCHEMBL29783299 0.86 MMP12 (0.47) CDK5ROS1ACVR1LRRK2EPHX2
SCHEMBL16588451 0.80 EPHX2 (0.47) CDK5ROS1ACVR1LRRK2EPHX2
SCHEMBL1183823 0.79 TGM2 (0.53) CDK5LRRK2PDE3BPDE3ALMNA
SCHEMBL1186060 0.79 SRD5A1 (0.50) CDK5LRRK2PDE3BPDE3AKDM4E
SCHEMBL1184405 0.79 TGM2 (0.53) LRRK2PDE3BPDE3APKMPARP1
SCHEMBL1185219 0.79 KMT2A (0.54) CDK5LRRK2PDE3BPDE3APARP1
SCHEMBL1183750 0.78 PDE3B (0.74) CDK5LRRK2PDE3BPDE3AALDH1A1
SCHEMBL6866393 0.78 MEN1 (0.39) PDE3BPDE3AALDH1A1KDM4EPKM
SCHEMBL433753 0.78 PKM (0.58) EPHX2PDE3BPDE3AMMP12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS J. MICHAEL BISHOP INSTITUTE OF CANCER RESEARCH (CN) 2024-08-15 US disclosed
EP-4277897-A1 FUSED AZEPINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2023-11-22 EP disclosed
WO-2022152097-A1 FUSED AZEPINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2022-07-21 WO disclosed
EP-1399448-B1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-12-01 EP disclosed
EP-1399448-A1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-24 EP disclosed
US-6686352-B2 USEFUL AS COGNITIVE ENHANCER OR FOR THERAPY OF COGNITIVE DISORDERS LIKE ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2003-03-20 US disclosed
WO-2002094834-A1 IMIDAZO [1,5-A] PYRIMIDO [5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 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 (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-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, PNLIP, GOT2 CDK5 581/4885ROS1 3071/4885ACVR1 4492/4885
US-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives GALR1, GALR2, ADRA1A CDK5 2328/4885ROS1 3155/4885ACVR1 807/4885

“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.