SCHEMBL17047832

SCHEMBL17047832

O=C(O)Nc1cnn2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.43
LRRK2 Q5S007 2/20 0.41
SSTR4 P31391 1/20 0.41
CDK9 P50750 12/20 0.40
POLQ O75417 1/20 0.38
CCNT1 O60563 3/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK3 Q00526 1/20 0.35
CDK6 Q00534 1/20 0.35
CDK5 Q00535 1/20 0.35
GAA P10253 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL15528465 0.95 LRRK2 (0.40) NLRP3LRRK2SSTR4CDK9POLQ
SCHEMBL12209156 0.86 LRRK2 (0.43) NLRP3LRRK2SSTR4CDK9CCNT1
SCHEMBL12209161 0.81 LRRK2 (0.41) NLRP3LRRK2SSTR4CDK9CCNT1
SCHEMBL22050209 0.74 EPHX2 (0.51) HTR2AHTR2C
SCHEMBL17054291 0.74 CDK9 (0.42) NLRP3LRRK2SSTR4CDK9
SCHEMBL3111541 0.72 CCNT1 (0.37) SSTR4CDK9CCNT1
SCHEMBL23114729 0.71 LRRK2 (0.46) NLRP3LRRK2SSTR4CDK9CDK1
SCHEMBL25172258 0.70 HTR2A (0.43) NLRP3SSTR4CDK9POLQHTR2A
SCHEMBL6842210 0.70 CYP11B1 (0.44) NLRP3LRRK2SSTR4CDK9POLQ
SCHEMBL10234967 0.69 DRD4 (0.49) NLRP3LRRK2SSTR4CDK9HTR2A

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 5 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
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

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-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 NLRP3 3511/4885LRRK2 563/4885SSTR4 3782/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 NLRP3 3511/4885LRRK2 563/4885SSTR4 3782/4885

“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.