SCHEMBL4487882

SCHEMBL4487882

CN(C)CCn1ccnc1-c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
HTR1D P28221 3/20 0.40
HTR6 P50406 1/20 0.39
EGFR P00533 3/20 0.38
ROCK1 Q13464 1/20 0.37
KEAP1 Q14145 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
TNK2 Q07912 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL24186044 0.85 ESR1 (0.42) ESR1HTR1DHTR6EGFRROCK1
SCHEMBL5005822 0.83 ROCK1 (0.45) ESR1HTR1DEGFRROCK1HTR2A
SCHEMBL5654622 0.83 ESR1 (0.45) ESR1KEAP1KDM4ENPC1ALDH1A1
SCHEMBL3151691 0.79 ALDH1A1 (0.43) ESR1KEAP1TNK2KDM4ENPC1
SCHEMBL14500119 0.78 ROCK1 (0.47) ESR1HTR1DEGFRROCK1HTR2A
SCHEMBL5249512 0.77 HTR7 (0.41) ESR1HTR1DHTR6EGFRROCK1
SCHEMBL17743804 0.75 ESR1 (0.51) ESR1NPC1RAB9A
SCHEMBL77337 0.73 HDAC4 (0.47) KEAP1TNK2KDM4ENPC1ALDH1A1
SCHEMBL11216301 0.73 KMT2A (0.58) HTR2AHTR2CALDH1A1TSHR
SCHEMBL3155427 0.71 LIMK2 (0.59) ESR1HTR6ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR ESR1 529/4885HTR1D 104/4885HTR6 29/4885

“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.