SCHEMBL294985

SCHEMBL294985

CC1CN(C=O)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDK1 Q15118 1/20 0.37
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
FKBP1A P62942 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 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
SCHEMBL3647529 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1PDK1PKMMAPK1
SCHEMBL38657611 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1PDK1PKMMAPK1
SCHEMBL30997338 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1
SCHEMBL6247128 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1PDK1PKMMAPK1
SCHEMBL6628037 0.75
SCHEMBL16939953 0.75
SCHEMBL11826634 0.74 PDK1 (0.41) ALDH1A1L3MBTL1PDK1PKMMAPK1
SCHEMBL22771990 0.72
SCHEMBL8420199 0.72 ALDH1A1 (0.48) ALDH1A1L3MBTL1PDK1PKMMAPK1
SCHEMBL8420200 0.72 ALDH1A1 (0.48) ALDH1A1L3MBTL1PDK1PKMMAPK1

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP claimed
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases SYROS PHARMACEUTICALS, INC. (US) 2021-06-22 US claimed
US-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS INC (US) 2021-05-20 US claimed
CN-112368285-A Pyrrolotriazine compounds and methods of inhibiting TAM kinase 希洛斯医药品股份有限公司 2021-02-12 CN claimed
EP-3694860-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES Syros Pharmaceuticals, Inc. (US) 2020-08-19 EP claimed
WO-2019074962-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2019-04-18 WO claimed
US-9187487-B2 Azaindole derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2015-11-17 US claimed
EP-2710006-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2014-03-26 EP claimed
US-20140073626-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS Principia Biopharma (US) 2014-03-13 US claimed
WO-2012158785-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 WO claimed
US-20120172293-A1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US claimed
EP-1492536-B1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-09 EP claimed
EP-2450374-A1 PEPTIDE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP claimed
US-7456189-B2 Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-25 US claimed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US claimed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US claimed
US-20050070560-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-31 US claimed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
US-5821240-A ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS DR. KARL THOMAE GMBH (DE) 1998-10-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 ALDH1A1 3763/4885L3MBTL1 3287/4885PDK1 207/4885
US-20140073626-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS BMX, BLK, ITK ALDH1A1 4686/4885L3MBTL1 4542/4885PDK1 3068/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 ALDH1A1 3763/4885L3MBTL1 3287/4885PDK1 207/4885
US-20050070560-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation BPHL, BRDT, PKD1 ALDH1A1 1816/4885L3MBTL1 4775/4885PDK1 88/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD ALDH1A1 731/4885L3MBTL1 4617/4885PDK1 460/4885
US-20120172293-A1 PEPTIDE AND USE THEREOF GLP1R, GIPR, SCTR ALDH1A1 3781/4885L3MBTL1 797/4885PDK1 4005/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 ALDH1A1 1933/4885L3MBTL1 4832/4885PDK1 64/4885

“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.