SCHEMBL17045671

SCHEMBL17045671

CN1CCC(n2nc(C3CC3)cc2N)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.46
HRH4 Q9H3N8 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
DRD4 P21917 1/20 0.34
LCK P06239 2/20 0.33
SRC P12931 2/20 0.33
CSK P41240 2/20 0.33
NUDT14 O95848 1/20 0.33
BTK Q06187 1/20 0.33
NUDT5 Q9UKK9 1/20 0.33
PIK3CD O00329 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
QDPR P09417 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
SCHEMBL17045459 0.86 PKM (0.44) SMN1; SMN2GAAALOX15HRH4NPC1
SCHEMBL18693671 0.81 NPC1 (0.47) SMN1; SMN2ALOX15HRH4NPC1LMNA
SCHEMBL1695005 0.80 GAA (0.54) SMN1; SMN2GAAALOX15DRD4LCK
SCHEMBL28675827 0.79 RET (0.43) SMN1; SMN2ALOX15NPC1LMNATP53
SCHEMBL24483396 0.78 NPC1 (0.51) SMN1; SMN2HRH4NPC1LMNATP53
SCHEMBL18693143 0.77 NPC1 (0.50) SMN1; SMN2HRH4NPC1LMNATP53
SCHEMBL25793180 0.76 GAA (0.50) SMN1; SMN2GAAALOX15HRH4LCK
SCHEMBL997406 0.75 GAA (0.52) SMN1; SMN2GAAALOX15DRD4
SCHEMBL574082 0.73 NPC1 (0.45) SMN1; SMN2HRH4NPC1LMNATP53
SCHEMBL15048566 0.73 GAA (0.50) SMN1; SMN2GAAALOX15LMNADRD4

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 7 patents. 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
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-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-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

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-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SMN1; SMN2 3699/4885GAA 1909/4885ALOX15 4413/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 SMN1; SMN2 3699/4885GAA 1909/4885ALOX15 4413/4885
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SMN1; SMN2 3699/4885GAA 1909/4885ALOX15 4413/4885

“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.