SCHEMBL16019682

SCHEMBL16019682

OCc1ccc2[nH]c3ccnc(Cl)c3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
MAOA P21397 1/20 0.42
DYRK1A Q13627 1/20 0.42
BRD4 O60885 6/20 0.40
BRD2 P25440 5/20 0.40
BRD3 Q15059 5/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PLAU P00749 1/20 0.37
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36
UTS2R Q9UKP6 4/20 0.35
NHERF1 O14745 1/20 0.35

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
SCHEMBL16156577 0.77 ERBB2 (0.49) BRD4BRD2BRD3HPGD
SCHEMBL16019683 0.76 BRD4 (0.41) MAOADYRK1ABRD4BRD2BRD3
SCHEMBL28335170 0.75 ALDH1A1 (0.59) MAOADYRK1AKDM4EMEN1ALDH1A1
SCHEMBL29844524 0.75 ALDH1A1 (0.59) MAOADYRK1AKDM4EMEN1ALDH1A1
SCHEMBL16009339 0.73 KDM4E (0.57) RECQLDYRK1ABRD4BRD2BRD3
SCHEMBL16156559 0.73 UTS2R (0.54) ALDH1A1HSD17B10UTS2R
SCHEMBL6997520 0.71 PLAU (0.56) RECQLMAOADYRK1AKDM4EMAPT
SCHEMBL16795087 0.70 NUDT1 (0.46) RECQLPDE3BPDE3A
SCHEMBL19593757 0.70 BRD4 (0.38) BRD4BRD2BRD3KDM4EMEN1
SCHEMBL30961823 0.70 KDM4E (0.63) MAOADYRK1AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 RECQL 664/4885MAOA 4242/4885DYRK1A 2531/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 RECQL 664/4885MAOA 4242/4885DYRK1A 2531/4885

“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.