SCHEMBL6866883

SCHEMBL6866883

CN(C)CCn1c2c(c3ccccc31)C1=C(C(=O)N(COCc3ccccc3)C1=O)c1c([nH]c3ccccc13)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
CDK4 P11802 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CCND1 P24385 1/20 0.35
KMT2A Q03164 1/20 0.35
TOP2A P11388 1/20 0.35
MYLK Q15746 1/20 0.34
HTR6 P50406 2/20 0.34
ALB P02768 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
XDH P47989 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PRKCB P05771 2/20 0.33
PRKCA P17252 2/20 0.33
HTR3A P46098 1/20 0.33
TERT O14746 1/20 0.33

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
SCHEMBL6997136 0.85 MPO (0.45) MPOHAVCR2CDK4PRKACAPRKACG
SCHEMBL6864424 0.82 NQO1 (0.41) KMT2AACHEALDH1A1
SCHEMBL6860285 0.81 PRKACA (0.47) MPOHAVCR2CDK4PRKACAPRKACG
SCHEMBL6864479 0.81 MPO (0.45) MPOHAVCR2CDK4PRKACAPRKACG
SCHEMBL6997570 0.64 SIRT2 (0.49) HAVCR2KMT2AALDH1A1
SCHEMBL9374063 0.62 SIRT2 (0.70) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL25333651 0.61 MPO (0.82) MPOHAVCR2KMT2AXDHALDH1A1
SCHEMBL1268 0.60 BCHE (0.62) ALBBCHEACHEBRD4
SCHEMBL4419395 0.60 MEN1 (0.63) MPOHAVCR2KMT2AALDH1A1
SCHEMBL11735517 0.60 CDK4 (0.58) MPOHAVCR2CDK4PRKACAPRKACG

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-6812243-B2 AS TYROSINE KINASE INHIBITORS; FOR THERARPY OF TUMORS, ARTERIOSCLEROSIS, RESTENOSIS AFTER BALLOON ANGIOPLASTY, ARTHRITIS AND FIBROTIC DISEASES ZENTARIS AG (DE) 2004-11-02 US disclosed
US-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation ZENTARIS AG (DE) 2003-01-09 US disclosed
EP-1109785-B1 INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MALIGNANT AND OTHER DISEASES CAUSED BY PATHOLOGICAL CELL PROLIFERATION ZENTARIS AG (DE) 2003-01-02 EP disclosed
US-6407102-B1 TYROSINE KINASE AND PLATELET-DERIVED GROWTH FACTOR INHIBITORS; ANTICARCINOGENIC, ANTITUMOR, ANTIARTHRITIC AND ANTIPROLIFERATIVE AGENTS; RESTENOSIS, ARTERIOSCLEROSIS ZENTARIS AG (DE) 2002-06-18 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 (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-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation MKI67, IDO1, CCNI MPO 2724/4885HAVCR2 2006/4885CDK4 22/4885

“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.