SCHEMBL4172262

SCHEMBL4172262

Cc1nn(C(C)(C)C)c(N)c1C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RIPK2 O43353 2/20 0.33
IKBKB O14920 1/20 0.31
IKBKE Q14164 1/20 0.31
PARP1 P09874 2/20 0.31

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
SCHEMBL33722 0.81 SMN1; SMN2 (0.52) HPGDSMN1; SMN2RIPK2IKBKBIKBKE
Hydrochloric Acid SCHEMBL7113251 0.79 SMN1; SMN2 (0.50) HPGDSMN1; SMN2RIPK2IKBKBIKBKE
SCHEMBL13148355 0.75 HPGD (0.37) HPGDSMN1; SMN2PARP1
SCHEMBL4171724 0.74 HPGD (0.46) HPGDSMN1; SMN2RIPK2IKBKBIKBKE
SCHEMBL21721135 0.71 SMN1; SMN2 (0.43) HPGDSMN1; SMN2PARP1
SCHEMBL21720884 0.71 HPGD (0.35) HPGDSMN1; SMN2PARP1
SCHEMBL21720987 0.71 HPGD (0.35) HPGDSMN1; SMN2PARP1
SCHEMBL21720787 0.71 HPGD (0.35) HPGDSMN1; SMN2PARP1
SCHEMBL21720999 0.71 HPGD (0.35) HPGDSMN1; SMN2PARP1
SCHEMBL10227158 0.71 HPGD (0.35) HPGDSMN1; SMN2PARP1

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 21 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-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-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 US disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 US disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 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
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
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
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101432276-A Quinoline derivatives ASTRAZENECA AB (SE) 2009-05-13 CN disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099323-A2 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO 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 (5 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-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS HPGD 1289/4885SMN1; SMN2 1959/4885RIPK2 3483/4885
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HPGD 1272/4885SMN1; SMN2 3699/4885RIPK2 2062/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 HPGD 1385/4885SMN1; SMN2 2619/4885RIPK2 3075/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 HPGD 1272/4885SMN1; SMN2 3699/4885RIPK2 2062/4885
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HPGD 1272/4885SMN1; SMN2 3699/4885RIPK2 2062/4885

“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.