SCHEMBL10325757

SCHEMBL10325757

CC(C)(N)c1ccc(N/C(=C2/C(=O)Nc3cc(C#CC(=O)Nc4ccccc4)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
NLRP3 Q96P20 1/20 0.37
GFER P55789 1/20 0.35
RET P07949 1/20 0.34
CASP3 P42574 2/20 0.34
NTRK1 P04629 1/20 0.33
BACE1 P56817 1/20 0.33
KIT P10721 2/20 0.33
FLT4 P35916 2/20 0.33
FLT3 P36888 2/20 0.33
PDGFRB P09619 1/20 0.33
GRM5 P41594 2/20 0.33
AURKB Q96GD4 1/20 0.33
KDR P35968 1/20 0.32
VCP P55072 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32

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
SCHEMBL14353300 0.92 CASP3 (0.34) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14353015 0.91 MAP2K1 (0.34) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14353027 0.90 PYGL (0.32) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14352930 0.89 CASP3 (0.32) CASP3BACE1
SCHEMBL4497747 0.86 F2 (0.39) MEN1KMT2ACASP3BACE1AURKB
SCHEMBL25754137 0.85 MEN1 (0.38) MEN1KMT2ARETCASP3BACE1
SCHEMBL10293630 0.84 MAP2K1 (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL10325117 0.84 MAP2K1 (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL15409472 0.83 MAP2K1 (0.33) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL15409478 0.83 MAP2K1 (0.33) MEN1KMT2ANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194442-A1 ANTICANCER THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-10 US claimed
US-20130122005-A1 ANTICANCER COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US claimed
US-20130004481-A1 ANTICANCER THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 US claimed
US-8937095-B2 Anticancer compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-20140194442-A1 ANTICANCER THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-10 US disclosed
US-20140018405-A1 Anticancer Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-16 US disclosed
EP-2663303-A1 ANTICANCER THERAPY WITH DUAL AURORA KINASE / MEK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-11-20 EP disclosed
US-20130122005-A1 ANTICANCER COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US disclosed
US-20130004481-A1 ANTICANCER THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 US disclosed
WO-2012095505-A1 ANTICANCER THERAPY WITH DUAL AURORA KINASE / MEK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-19 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-20140194442-A1 ANTICANCER THERAPY AURKA, AURKC, AURKB MEN1 1688/4885KMT2A 879/4885NPC1 1156/4885
US-20130004481-A1 ANTICANCER THERAPY AURKA, AURKC, AURKB MEN1 1688/4885KMT2A 879/4885NPC1 1156/4885
US-20140018405-A1 Anticancer Compounds AURKA, AURKC, AURKB MEN1 842/4885KMT2A 591/4885NPC1 936/4885
US-20130122005-A1 ANTICANCER COMBINATION THERAPY AURKA, IGF1R, AURKC MEN1 430/4885KMT2A 892/4885NPC1 2687/4885

“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.