SCHEMBL17045400

SCHEMBL17045400

CCn1nc2c(c1N)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
BPTF Q12830 1/20 0.38
POLB P06746 2/20 0.36
CYP1A2 P05177 2/20 0.36
GAA P10253 2/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLQ O75417 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL12073002 0.96 POLB (0.40) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL19481466 0.78 POLQ (0.46) POLBCYP1A2GAAHTR2AHTR2C
SCHEMBL11702724 0.77 HTT (0.37) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL20939719 0.77 POLB (0.35) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL14621344 0.76 POLB (0.36) POLBCYP1A2GAAHTR2AHTR2C
SCHEMBL17045386 0.76 ACHE (0.34) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL12335143 0.75 POLB (0.52) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL12073694 0.73 POLQ (0.42) MEN1KMT2APOLBCYP1A2GAA
SCHEMBL21082386 0.73 POLB (0.34) MEN1KMT2APOLBCYP1A2GAA
SCHEMBL11743978 0.73 POLB (0.32) ACHEMEN1MAPK1KMT2ABPTF

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 EP disclosed
EP-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 EP disclosed
US-10307407-B2 9H-pyrimido [4,5-B] indoles as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-04 US disclosed
US-10307407-B2 9H-pyrimido [4,5-B] indoles as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-04 US disclosed
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-09 US disclosed
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-09 US disclosed
US-20180036294-A1 9H-PYRIMIDO [4,5-B] INDOLES AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2018-02-08 US disclosed
US-20180036294-A1 9H-PYRIMIDO [4,5-B] INDOLES AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2018-02-08 US disclosed
US-20180036294-A1 9H-PYRIMIDO [4,5-B] INDOLES AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2018-02-08 US disclosed
EP-3262045-A1 9H-PYRIMIDO [4,5-B]INDOLES AS BET BROMODOMAIN INHIBITORS The Regents of The University of Michigan (US) 2018-01-03 EP disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 US disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 US disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 US disclosed
EP-3110818-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS The Regents of The University of Michigan (US) 2017-01-04 EP disclosed
WO-2016138332-A1 9H-PYRIMIDO [4,5-B] INDOLES AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-09-01 WO disclosed
WO-2015131005-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 WO disclosed
WO-2015131005-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 WO disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 US disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 US disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 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-10307407-B2 9H-pyrimido [4,5-B] indoles as BET bromodomain inhibitors BRD4, BRD3, BRD1 ACHE 3147/4885MEN1 1609/4885MAPK1 2051/4885
US-20180036294-A1 9H-PYRIMIDO [4,5-B] INDOLES AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ACHE 3147/4885MEN1 1609/4885MAPK1 2051/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 ACHE 2685/4885MEN1 1743/4885MAPK1 2691/4885
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ACHE 2685/4885MEN1 1743/4885MAPK1 2691/4885

“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.