SCHEMBL4487965

SCHEMBL4487965

CCN1CCN(CC(=O)N(C)c2ccc(N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.50
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
RAD52 P43351 2/20 0.47
GFER P55789 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
HSD11B1 P28845 1/20 0.39
AURKA O14965 1/20 0.39
PPIB P23284 2/20 0.39
ATM Q13315 1/20 0.38
CHEK1 O14757 1/20 0.38
PRKAB2 O43741 1/20 0.38
NUAK1 O60285 1/20 0.38
MAPK1 P28482 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
SCHEMBL436539 0.88 DRD4 (0.50) DRD4MAPTKDM4EGAAGFER
SCHEMBL30921473 0.88 DRD4 (0.49) DRD4RAD52GFERHRH3ALDH1A1
SCHEMBL3158672 0.88 DRD4 (0.49) DRD4RAD52GFERHRH3ALDH1A1
SCHEMBL24538671 0.87 DRD4 (0.49) DRD4MAPTSMN1; SMN2HRH3ALDH1A1
SCHEMBL3148838 0.87 DRD4 (0.48) DRD4GAARAD52GFERMEN1
SCHEMBL17976084 0.86 DRD4 (0.48) DRD4SMN1; SMN2HRH3ALDH1A1LMNA
SCHEMBL10282320 0.85 DRD4 (0.67) DRD4KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL18851564 0.84 DRD4 (0.46) DRD4HRH3ALDH1A1LMNAAURKA
SCHEMBL3144650 0.84 HRH3 (0.58) DRD4MAPTKDM4EGAASMN1; SMN2
SCHEMBL4490990 0.83 DRD4 (0.46) DRD4SMN1; SMN2HRH3LMNACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215735-A1 METHOD FOR PREPARING METHYL (Z)-3-[[4-[METHYL[2-(4-METHYL-1-PIPERAZINYL)ACETYL]AMINO]PHEHYL]AMINO]PHENYLMETHYLENE)-OXINDOLE-6-CARBOXYLATE (INTEDANIB, NINTEDANIB) ZENTIVA K.S. (CZ) 2018-08-02 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 (2 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR DRD4 1051/4885MAPT 545/4885KDM4E 1648/4885
US-20180215735-A1 METHOD FOR PREPARING METHYL (Z)-3-[[4-[METHYL[2-(4-METHYL-1-PIPERAZINYL)ACETYL]AMINO]PHEHYL]AMINO]PHENYLMETHYLENE)-OXINDOLE-6-CARBOXYLATE (INTEDANIB, NINTEDANIB) ALK, ACVR2B, ACVR1B DRD4 2836/4885MAPT 2766/4885KDM4E 1014/4885

“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.