SCHEMBL6325570

SCHEMBL6325570

COc1ccc(/C(Nc2ccc(CN(C)C)cc2)=C2/C(=O)Nc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.40
DRD2 P14416 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TTR P02766 1/20 0.40
GAA P10253 1/20 0.40
LRRK2 Q5S007 1/20 0.40
TP53 P04637 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
IDO1 P14902 2/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL6325573 1.00 TDP1 (0.56) TDP1ACHEBCHEDRD2MAPT
SCHEMBL30979384 0.90 IDO1 (0.40) TDP1ACHEBCHEMAPTALDH1A1
SCHEMBL6323528 0.90 IDO1 (0.40) TDP1ACHEBCHEMAPTALDH1A1
SCHEMBL6323531 0.90 IDO1 (0.40) TDP1ACHEBCHEMAPTALDH1A1
SCHEMBL6321646 0.89 TDP1 (0.45) TDP1ACHEMAPTALDH1A1TP53
SCHEMBL6321670 0.89 TDP1 (0.45) TDP1ACHEMAPTALDH1A1TP53
SCHEMBL6326854 0.89 MAPT (0.41) TDP1MAPTALDH1A1TP53IDO1
SCHEMBL6326859 0.89 MAPT (0.41) TDP1MAPTALDH1A1TP53IDO1
SCHEMBL6327035 0.88 LSS (0.48) TDP1MAPTALDH1A1IDO1LMNA
SCHEMBL6327539 0.88 LSS (0.48) TDP1MAPTALDH1A1IDO1LMNA

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-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 TDP1 1212/4885ACHE 4551/4885BCHE 3925/4885

“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.