SCHEMBL6337196

SCHEMBL6337196

CCC(Nc1ccc(CN(C)C)cc1)=C1C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.43
CYP3A4 P08684 2/20 0.43
RET P07949 4/20 0.42
ACHE P22303 5/20 0.40
CYP2C19 P33261 1/20 0.39
BCHE P06276 2/20 0.39
EGFR P00533 1/20 0.38
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
LSS P48449 1/20 0.36
CHEK1 O14757 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6337188 1.00 ROCK2 (0.43) ROCK2CYP3A4RETACHECYP2C19
SCHEMBL6331490 0.92 ACHE (0.44) RETACHEBCHEEGFRMEN1
SCHEMBL6331498 0.92 ACHE (0.44) RETACHEBCHEEGFRMEN1
SCHEMBL6336778 0.91 ACHE (0.45) RETACHEBCHE
SCHEMBL6336786 0.91 ACHE (0.45) RETACHEBCHE
SCHEMBL6336801 0.90 ACHE (0.52) RETACHEBCHE
SCHEMBL6336549 0.90 RET (0.40) ROCK2CYP3A4RETACHEBCHE
SCHEMBL6339151 0.90 ACHE (0.40) ROCK2CYP3A4RETACHEBCHE
SCHEMBL6336805 0.90 ACHE (0.52) RETACHEBCHE
SCHEMBL6336552 0.90 RET (0.40) ROCK2CYP3A4RETACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI ROCK2 1396/4885CYP3A4 533/4885RET 154/4885

“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.