SCHEMBL6320212

SCHEMBL6320212

CC(=O)N(c1ccc(N)cc1)N1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
GFER P55789 2/20 0.43
ADRA2C P18825 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
PTK2B Q14289 1/20 0.43
ESR2 Q92731 1/20 0.43
CASP6 P55212 1/20 0.38
RAD52 P43351 1/20 0.37
HRH4 Q9H3N8 6/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
CYP3A4 P08684 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8930521 0.81 GFER (0.36) KDM4EALDH1A1MAPTGFERKMT2A
SCHEMBL4581596 0.81 SLC6A9 (0.39) LMNAALDH1A1MAPTGFERCASP6
SCHEMBL5519260 0.81 POLB (0.35) LMNAALDH1A1KMT2AGAAHRH4
SCHEMBL8723002 0.80 SLC6A9 (0.38) LMNAALDH1A1MAPTGFERCASP6
SCHEMBL8723022 0.79 CASP6 (0.33) KDM4EALDH1A1MAPTGFERCASP6
SCHEMBL8723014 0.79 MAPT (0.36) LMNAKDM4EALDH1A1MAPTGFER
SCHEMBL8722456 0.78 RAD52 (0.37) LMNAKDM4EALDH1A1MAPTGFER
Hydrochloric Acid SCHEMBL8719317 0.77 RAD52 (0.36) LMNAKDM4EALDH1A1MAPTGFER
SCHEMBL8930519 0.76
SCHEMBL8722452 0.76 MAPT (0.37) LMNAKDM4EALDH1A1MAPTGFER

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 LMNA 2720/4885KDM4E 710/4885ALDH1A1 1810/4885

“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.