SCHEMBL311677

SCHEMBL311677

Ic1cnc2[nH]cncc1-2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
FKBP5 Q13451 1/20 0.34
PKM P14618 1/20 0.31
IDO1 P14902 1/20 0.31
AOC1 P19801 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18341916 0.76 ALDH1A1 (0.36) ALDH1A1FKBP5PKMIDO1AOC1
SCHEMBL25861866 0.74 ALDH1A1 (0.44) ALDH1A1FKBP5PKMIDO1
SCHEMBL6502793 0.74 IDO1 (0.38) ALDH1A1FKBP5PKMIDO1POLB
SCHEMBL6237061 0.69 KMT2A (0.33) ALDH1A1FKBP5KDM4ENPSR1
Hydrochloric Acid SCHEMBL28274257 0.68 HRH3 (0.33) ALDH1A1FKBP5IDO1KDM4EPOLB
SCHEMBL28071244 0.67 CCNT1 (0.33) PKMIDO1AOC1
SCHEMBL10506714 0.65 KDM4A (0.33) ALDH1A1FKBP5IDO1
SCHEMBL28202370 0.64 ALDH1A1 (0.35) ALDH1A1AOC1KDM4EPMP22
SCHEMBL834961 0.63
SCHEMBL2058641 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137497-B Bicyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-15 CN disclosed
EP-3313817-B1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-09-16 EP disclosed
US-10618909-B2 Bicyclic derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-04-14 US disclosed
US-20190248805-A1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-08-15 US disclosed
US-10323041-B2 Bicyclic derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-06-18 US disclosed
US-20180258098-A1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-13 US disclosed
EP-3313817-A1 NEW BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2018-05-02 EP disclosed
WO-2016207217-A1 NEW BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-12-29 WO disclosed
US-8093229-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2012-01-10 US disclosed
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2009-12-24 US disclosed
US-7544672-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2009-06-09 US disclosed
CN-101180297-A Alkynyl pyrrolopyrimidines and related analogs as hsp90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2008-05-14 CN disclosed
EP-1869027-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2007-12-26 EP disclosed
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2006-10-05 US disclosed
WO-2006105372-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-05 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 (6 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-10618909-B2 Bicyclic derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, CASP3, CASP4 ALDH1A1 2683/4885FKBP5 2615/4885PKM 2923/4885
US-20180258098-A1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, CASP3, CASP4 ALDH1A1 2755/4885FKBP5 2588/4885PKM 2970/4885
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 ALDH1A1 991/4885FKBP5 81/4885PKM 3284/4885
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 ALDH1A1 978/4885FKBP5 49/4885PKM 3013/4885
US-20190248805-A1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, CASP3, CASP4 ALDH1A1 2683/4885FKBP5 2615/4885PKM 2923/4885
US-10323041-B2 Bicyclic derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, CASP3, CASP4 ALDH1A1 2683/4885FKBP5 2615/4885PKM 2923/4885

“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.