SCHEMBL4493412

SCHEMBL4493412

CN(C)C(=O)CNc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
ESR1 P03372 2/20 0.41
CYP19A1 P11511 2/20 0.41
ESR2 Q92731 2/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
APEX1 P27695 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL807665 0.83 MAPT (0.48) CA12CA1CA2CA9RAB9A
SCHEMBL31262950 0.83 CA1 (0.44) CA12CA1CA2CA9MAPT
SCHEMBL23963287 0.83 HRH3 (0.45) CA12CA1CA2CA9RAB9A
SCHEMBL13531978 0.82 CA12 (0.46) CA12CA1CA2CA9RAB9A
SCHEMBL31262962 0.81 TSHR (0.55) CA12CA1CA2CA9RAB9A
SCHEMBL20762355 0.81 CA12 (0.43) CA12CA1CA2CA9RAB9A
SCHEMBL31263081 0.81 MAPT (0.44) CA12CA1CA2CA9MAPT
SCHEMBL1783192 0.81 PKM (0.46) CA12CA1CA2CA9RAB9A
SCHEMBL9421820 0.80 ALDH1A1 (0.51) CA12CA1CA2CA9MAPT
Hydrochloric Acid SCHEMBL1781771 0.79 PKM (0.45) RAB9AMAPTLMNAPKMMEN1

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 12 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-7166615-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-7160901-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-09 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
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US 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
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 US disclosed
EP-1341760-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-10 EP disclosed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 US disclosed
WO-2002036564-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-10 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 (4 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 CA12 4682/4885CA1 4545/4885CA2 2629/4885
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 CA12 4817/4885CA1 4319/4885CA2 3672/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 CA12 4817/4885CA1 4319/4885CA2 3672/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 CA12 4842/4885CA1 4093/4885CA2 3514/4885

“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.