SCHEMBL4491078

SCHEMBL4491078

CC(C)(N)c1ccc(N/C(=C2\C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
BRD2 P25440 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CCNB1 P14635 1/20 0.38
CCR6 P51684 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
CASP3 P42574 2/20 0.37
TGM2 P21980 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BACE1 P56817 2/20 0.36
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
AURKB Q96GD4 1/20 0.35
RAB9A P51151 2/20 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
SCHEMBL4487044 0.89 CES1 (0.39) BRD4BRD2CASP3TGM2MEN1
SCHEMBL6323523 0.89 TDP1 (0.40) BRD4BRD2MEN1KMT2ABACE1
SCHEMBL4504086 0.88 BACE1 (0.44) BRD4BRD2CASP3TGM2MEN1
SCHEMBL3157920 0.88 BACE1 (0.42) CASP3MEN1KMT2ABACE1NR1H4
SCHEMBL4497747 0.86 F2 (0.39) BRD4BRD2CASP3MEN1KMT2A
SCHEMBL2568537 0.86 KMT2A (0.43) MEN1KMT2ABACE1AURKBRAB9A
SCHEMBL225866 0.86 NR1H4 (0.47) MEN1KMT2ACA12CA2CA9
SCHEMBL7474590 0.85 FFAR1 (0.38) CASP3NR1H4AURKB
SCHEMBL5788234 0.85 FFAR1 (0.38) CASP3NR1H4AURKB
SCHEMBL4490904 0.85 CCNB2 (0.35) BRD4BRD2CCNB2CDK1HSP90AA1

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 2 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

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 BRD4 2704/4885BRD2 3643/4885CCNB2 593/4885

“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.