SCHEMBL6860285

SCHEMBL6860285

CN(C)CCn1c2c(c3ccccc31)C1=C(C(=O)NC1=O)c1c([nH]c3ccccc13)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 4/20 0.47
PRKACG P22612 4/20 0.47
PRKACB P22694 4/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
MPO P05164 4/20 0.45
HAVCR2 Q8TDQ0 1/20 0.45
PIM1 P11309 3/20 0.42
PRKCA P17252 8/20 0.42
PRKCB P05771 7/20 0.42
MYLK Q15746 2/20 0.42
TOP2A P11388 1/20 0.41
PRKCH P24723 5/20 0.41
PRKCQ Q04759 5/20 0.41
PRKCD Q05655 5/20 0.41
PRKCE Q02156 5/20 0.41
PRKD3 O94806 4/20 0.41
PRKCG P05129 4/20 0.41
PRKD1 Q15139 4/20 0.41
PRKCI P41743 3/20 0.41

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
SCHEMBL6864479 0.90 MPO (0.45) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL6997136 0.90 MPO (0.45) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL6866883 0.81 MPO (0.38) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL6867398 0.74 CDK4 (0.49) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL11736951 0.66 CDK4 (0.58) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL11735517 0.66 CDK4 (0.58) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL6997570 0.66 SIRT2 (0.49) HAVCR2MEN1GSK3BKMT2ACYP1A2
SCHEMBL10704467 0.65 ALDH1A1 (0.59) MPOHAVCR2TOP2ACYP1A2MAPT
SCHEMBL8112983 0.65 MYLK (0.71) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL6871069 0.65 ROCK2 (0.58) CDK4CCND1PRKCBMEN1GSK3B

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 3 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

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 PRKACA 708/4885PRKACG 903/4885PRKACB 1062/4885

“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.