SCHEMBL3400224

SCHEMBL3400224

Cc1cc(N)ccc1C(=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
HTT P42858 3/20 0.54
CNR1 P21554 1/20 0.51
MYC P01106 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LRRK2 Q5S007 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL17979877 0.88 MEN1 (0.55) HPGDHTTCNR1KDM4EALDH1A1
SCHEMBL3401840 0.86 HPGD (0.55) HPGDHTTKDM4EALDH1A1GAA
SCHEMBL10126579 0.84 HPGD (0.54) HPGDHTTKDM4EALDH1A1GAA
SCHEMBL9759889 0.84 KDM4E (0.51) HPGDHTTKDM4EALDH1A1GAA
SCHEMBL11960910 0.84 RAB9A (0.58) HPGDHTTCNR1MYCKDM4E
SCHEMBL31202952 0.83 HRH4 (0.53) HPGDHTTALDH1A1TSHR
SCHEMBL3426385 0.83 HRH4 (0.53) HPGDHTTALDH1A1TSHR
SCHEMBL20460459 0.82 HPGD (0.55) HPGDHTTCNR1MYCKDM4E
SCHEMBL4766465 0.82 MAPT (0.61) HPGDHTTCNR1KDM4EGAA
SCHEMBL970089 0.82 HPGD (0.55) HPGDHTTCNR1MYCGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017121444-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-07-20 WO disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
US-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO disclosed
EP-1748996-A1 SUBSTITUTED THIOPHEN-CARBOXYLIC ACID AMIDES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG Boehringer Ingelheim International GmbH (DE) 2007-02-07 EP disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 US disclosed
WO-2005111014-A1 SUBSTITUTED THIOPHEN-CARBOXYLIC ACID AMIDES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 HPGD 4426/4885HTT 3554/4885CNR1 215/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 HPGD 1215/4885HTT 616/4885CNR1 985/4885

“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.