SCHEMBL6867398

SCHEMBL6867398

O=C1NC(=O)C2=C1c1c([nH]c3ccccc13)Cc1[nH]c3ccccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.49
CCND1 P24385 3/20 0.49
PRKCB P05771 3/20 0.49
PRKCA P17252 3/20 0.49
PRKCH P24723 3/20 0.49
PRKCE Q02156 3/20 0.49
PRKCQ Q04759 3/20 0.49
PRKCD Q05655 3/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
PRKD3 O94806 2/20 0.49
CCNB2 O95067 2/20 0.49
CCNE2 O96020 2/20 0.49
PRKCG P05129 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
PRKACA P17612 2/20 0.49
PRKACG P22612 2/20 0.49
PRKACB P22694 2/20 0.49
CCNE1 P24864 2/20 0.49

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
SCHEMBL6871069 0.84 ROCK2 (0.58) CDK4CCND1PRKCBCDK5CDK5R1
SCHEMBL6997570 0.79 SIRT2 (0.49) MEN1KMT2AGSK3BSIRT2KDM4E
SCHEMBL5686050 0.77 CAMK2D (0.57) CDK4CCND1PRKCBPRKCAPRKCH
SCHEMBL6860285 0.74 PRKACA (0.47) CDK4CCND1PRKCBPRKCAPRKCH
SCHEMBL6867314 0.73 SMN1; SMN2 (0.47) CDK4CCND1PRKCBPRKCAPRKCH
SCHEMBL11602909 0.72 CDK4 (0.61) CDK4CCND1PRKCBPRKCAPRKCH
SCHEMBL484701 0.71 MAP3K11 (0.55) CDK4CCND1PRKCBPRKCAPRKCH
SCHEMBL15797114 0.71 PRKCB (0.54) CDK4CCND1PRKCBPRKCAPRKCH
SCHEMBL20243386 0.71 CAMK2D (0.55) CDK4CCND1PRKCBPRKCAPRKCH
SCHEMBL29940783 0.70 CA1 (0.50) CDK4CCND1PRKCBPRKCAPRKCH

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 CDK4 22/4885CCND1 52/4885PRKCB 1147/4885

“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.