SCHEMBL12464002

SCHEMBL12464002

CCCN(C(=O)c1ccc(OC)cc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.50
KIF11 P52732 2/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.42
HTT P42858 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE7A Q13946 2/20 0.42

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
SCHEMBL13291465 0.91 CXCR3 (0.48) CXCR3MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12463878 0.86 CXCR3 (0.57) CXCR3KIF11MEN1CYP1A2CYP3A4
SCHEMBL12463993 0.77 CXCR3 (0.65) CXCR3MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12463674 0.76 POLB (0.48) CXCR3MEN1KMT2APOLBPDE10A
SCHEMBL12463668 0.74 CXCR3 (0.56) CXCR3KIF11MEN1CYP1A2CYP3A4
SCHEMBL12829873 0.73 CXCR3 (0.51) CXCR3KIF11MEN1KMT2APDE10A
SCHEMBL12536747 0.73 CXCR3 (0.57) CXCR3MEN1KMT2APDE10ALMNA
SCHEMBL449210 0.73 CXCR3 (0.59) CXCR3MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12463678 0.72 KIF11 (0.49) CXCR3KIF11
SCHEMBL12464101 0.72 CXCR3 (0.48) CXCR3KIF11POLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170246168-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-08-31 US disclosed
US-20170246168-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-08-31 US disclosed
US-9649312-B2 Compositions and methods of treatment of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-05-16 US disclosed
US-9649312-B2 Compositions and methods of treatment of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-05-16 US disclosed
US-20160324858-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2016-11-10 US disclosed
US-20160324858-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2016-11-10 US disclosed
US-20130190495-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-07-25 US disclosed
US-20130190495-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-07-25 US disclosed
US-8349853-B2 Detection defect in gene expression of hedgehog gene; diagnosis of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-01-08 US disclosed
US-8349853-B2 Detection defect in gene expression of hedgehog gene; diagnosis of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-01-08 US disclosed
EP-2340838-A1 Compositions and Methods of Treatment of Cancer Minerva Biotechnologies Corporation (US) 2011-07-06 EP disclosed
EP-2329822-A1 Compositions and methods of treatment of cancer Minerva Biotechnologies Corporation (US) 2011-06-08 EP disclosed
EP-1425016-B1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2010-06-02 EP disclosed
EP-2116248-A1 Compositions and Methods of Treatment of Cancer Minerva Biotechnologies Corporation (US) 2009-11-11 EP disclosed
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MINERVA BIOTECHNOLOGIES CORPORATION 2008-03-13 US disclosed
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MINERVA BIOTECHNOLOGIES CORPORATION 2008-03-13 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 (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-20160324858-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MUC1, TP53, BRCA1 CXCR3 109/4885KIF11 2340/4885MEN1 738/4885
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MUC1, CD44, TP53 CXCR3 1257/4885KIF11 1156/4885MEN1 1582/4885
US-20130190495-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MUC1, TP53, BRCA1 CXCR3 109/4885KIF11 2340/4885MEN1 738/4885
US-20170246168-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MUC1, TP53, BRCA1 CXCR3 109/4885KIF11 2340/4885MEN1 738/4885

“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.