SCHEMBL6871069

SCHEMBL6871069

COc1ccc2[nH]c3c(c2c1)C1=C(C(=O)NC1=O)c1c([nH]c2ccccc12)C3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.58
ABCG2 Q9UNQ0 1/20 0.54
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CCNE1 P24864 2/20 0.52
CDK2 P24941 2/20 0.52
KDR P35968 1/20 0.52
CCNE2 O96020 1/20 0.52
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
CAMK2B Q13554 1/20 0.52
CAMK2G Q13555 1/20 0.52
CAMK2D Q13557 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
PDGFRB P09619 1/20 0.51

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
SCHEMBL6867398 0.84 CDK4 (0.49) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL14440445 0.74 KDR (0.57) ROCK2ABCG2ALDH1A1KDM4EMAPT
SCHEMBL8128623 0.73 ROCK2 (1.00) ROCK2MAPTMEN1KMT2ACCNE1
SCHEMBL19216939 0.73 GSK3B (0.58) ROCK2ABCG2CCNE1CDK2KDR
SCHEMBL4377821 0.73 DRD2 (0.56) ROCK2ABCG2ALDH1A1KDM4EMAPT
SCHEMBL8946574 0.73 CA1 (0.65) ROCK2ABCG2ALDH1A1KDM4EMAPT
SCHEMBL30213441 0.71 ABCG2 (1.00) ROCK2ABCG2ALDH1A1KDM4EMAPT
SCHEMBL5442946 0.71 ABCG2 (1.00) ROCK2ABCG2ALDH1A1KDM4EMAPT
SCHEMBL17817279 0.71 ABCG2 (0.58) ROCK2ABCG2ALDH1A1KDM4EMAPT
SCHEMBL8319658 0.71 ROCK2 (0.45) ROCK2ABCG2ALDH1A1KDM4EMAPT

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 ROCK2 502/4885ABCG2 2240/4885ALDH1A1 952/4885

“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.