SCHEMBL1145581

SCHEMBL1145581

Sc1cccc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
GSK3B P49841 1/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
EED O75530 1/20 0.38
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
MAOB P27338 3/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL24312061 0.82 ITGB2 (0.50) ALDH1A1MAPK1KDM4ELMNA
SCHEMBL7594061 0.76 ABCG2 (0.55) ABCG2GSK3BPKMTSHREED
SCHEMBL30521296 0.74 ABCG2 (0.52) ABCG2GSK3BPKMTSHREED
SCHEMBL1224045 0.74 ABCG2 (0.52) ABCG2GSK3BPKMTSHREED
SCHEMBL16398867 0.74 GSK3B (0.49) ABCG2GSK3BPKMTSHREED
SCHEMBL1145761 0.74 EED (0.46) ABCG2GSK3BEEDTTBK1TTBK2
SCHEMBL22899466 0.74 ALDH1A1 (0.46) ABCG2GSK3BPKMTSHREED
SCHEMBL17922618 0.73 ABCG2 (0.50) ABCG2GSK3BPKMTSHREED
SCHEMBL10589684 0.73 ABCG2 (0.50) ABCG2GSK3BPKMTSHREED
SCHEMBL352307 0.73 ABCG2 (0.50) ABCG2GSK3BPKMTSHREED

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO disclosed
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 WO disclosed
WO-2022189810-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2022-09-15 WO disclosed
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-06-04 US disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 US disclosed
WO-2016203406-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
WO-2016203405-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
EP-1521751-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS Astrazeneca AB (SE) 2005-04-13 EP disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2004005284-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 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 (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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ABCG2 3114/4885GSK3B 2237/4885PKM 1601/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 ABCG2 1499/4885GSK3B 174/4885PKM 2636/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 ABCG2 1583/4885GSK3B 130/4885PKM 2208/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ABCG2 2800/4885GSK3B 2242/4885PKM 1340/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR ABCG2 2581/4885GSK3B 2980/4885PKM 2873/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 ABCG2 1475/4885GSK3B 169/4885PKM 2582/4885
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 ABCG2 97/4885GSK3B 310/4885PKM 599/4885

“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.