SCHEMBL5168100

SCHEMBL5168100

CN(C)CCN(c1ccc(N/C(=C2\C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)c2ccccc2)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.45
BRD2 P25440 3/20 0.44
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
HTR6 P50406 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL5426194 1.00 BRD4 (0.45) BRD4BRD2AURKAAURKBHTR6
SCHEMBL7187864 0.90 BRD4 (0.42) BRD4BRD2AURKAAURKBMEN1
SCHEMBL6318774 0.89 L3MBTL1 (0.38) MEN1KMT2A
SCHEMBL6318782 0.89 L3MBTL1 (0.38) MEN1KMT2A
SCHEMBL7494033 0.86 BRD4 (0.45) BRD4BRD2AURKAAURKBMEN1
SCHEMBL7494041 0.86 BRD4 (0.45) BRD4BRD2AURKAAURKBMEN1
SCHEMBL5428644 0.85 BRD4 (0.45) BRD4BRD2AURKAAURKBMEN1
SCHEMBL1116369 0.85 LMNA (0.40) BRD4BRD2MEN1KMT2A
SCHEMBL1116366 0.85 LMNA (0.40) BRD4BRD2MEN1KMT2A
SCHEMBL5428640 0.85 BRD4 (0.45) BRD4BRD2AURKAAURKBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US claimed
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US claimed
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 US claimed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 US claimed
US-20070213403-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2007-09-13 US disclosed
EP-1773309-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS Forskarpatent i Syd AB (SE) 2007-04-18 EP disclosed
WO-2006004545-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2006-01-12 WO disclosed
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 BRD4 1145/4885BRD2 1996/4885AURKA 98/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 BRD4 1145/4885BRD2 1996/4885AURKA 98/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 BRD4 1082/4885BRD2 2405/4885AURKA 31/4885

“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.