SCHEMBL16009463

SCHEMBL16009463

COC(=O)CCNc1cc(Br)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.50
SLC2A1 P11166 1/20 0.44
KDM4E B2RXH2 5/20 0.44
CASP3 P42574 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PRNP P04156 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE10A Q9Y233 1/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL19594008 0.87 KDM4E (0.45) TOP2ASLC2A1KDM4EKMT2ATSHR
SCHEMBL28021793 0.78 TOP2A (0.77) TOP2ASLC2A1KDM4ECASP3MEN1
SCHEMBL16009399 0.77 TOP2A (0.43) TOP2ASLC2A1KDM4ECASP3MEN1
Hydrochloric Acid SCHEMBL27513613 0.77 TOP2A (0.75) TOP2ASLC2A1KDM4ECASP3MEN1
Hydrochloric Acid SCHEMBL27538864 0.77 TOP2A (0.75) TOP2ASLC2A1KDM4ECASP3MEN1
SCHEMBL18947845 0.76 NCF1 (0.57) TOP2ASLC2A1KDM4EKMT2AALDH1A1
SCHEMBL16156537 0.76 TOP2A (0.42) TOP2ASLC2A1KDM4ECASP3MEN1
SCHEMBL29726896 0.74 CACNA2D1 (0.51) TOP2ARXFP1
SCHEMBL16009276 0.74 CACNA2D1 (0.51) TOP2ARXFP1
SCHEMBL16974190 0.74 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
EP-2970312-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 EP disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 TOP2A 148/4885SLC2A1 4850/4885KDM4E 580/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 TOP2A 148/4885SLC2A1 4850/4885KDM4E 580/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 TOP2A 148/4885SLC2A1 4850/4885KDM4E 580/4885

“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.