SCHEMBL1933816

SCHEMBL1933816

COc1ccc2c(c1)c(-c1cc3c(ncc4cnc(C)n43)n1COP(=O)(O)O)cn2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
GSK3B P49841 3/20 0.36
LCK P06239 2/20 0.36
IGF1R P08069 2/20 0.36
GSK3A P49840 2/20 0.36
CDK7 P50613 2/20 0.36
LRRK2 Q5S007 2/20 0.36
AURKB Q96GD4 2/20 0.36
JAK2 O60674 1/20 0.36
BTK Q06187 1/20 0.36
AURKA O14965 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL15875800 0.93 GSK3B (0.38) MTNR1AMTNR1BGSK3BLCKIGF1R
SCHEMBL1934171 0.92 GSK3B (0.36) MTNR1AMTNR1BGSK3BLCKIGF1R
SCHEMBL12390475 0.89 MTNR1A (0.36) MTNR1AMTNR1BGSK3BLCKIGF1R
SCHEMBL16244981 0.82 GSK3B (0.37) MTNR1AMTNR1BGSK3BLCKIGF1R
SCHEMBL16244986 0.81 GSK3B (0.36) MTNR1AMTNR1BGSK3BLCKIGF1R
SCHEMBL2317992 0.81 GSK3B (0.37) MTNR1AMTNR1BGSK3BLCKIGF1R
SCHEMBL1933130 0.79 MTNR1A (0.38) MTNR1AMTNR1BGSK3BLCKIGF1R
SCHEMBL2317985 0.77 GSK3B (0.38) MTNR1AMTNR1BGSK3BLCKIGF1R
SCHEMBL15875796 0.74 MTNR1A (0.36) MTNR1AMTNR1BGSK3BLCKIGF1R
SCHEMBL4355049 0.73 GRIK2 (0.35) GSK3BLCKIGF1RGSK3ACDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 US disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 US disclosed
US-10208024-B2 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2H)-one compounds as inhibitors of FGFR tyrosine kinases ARRAY BIOPHARMA INC. (US) 2019-02-19 US disclosed
US-9793485-B2 Benzocyclobutenes derived compositions, and electronic devices containing the same DOW GLOBAL TECHNOLOGIES LLC (US) 2017-10-17 US disclosed
US-20170260168-A1 2-ARYL- AND 2-HETEROARYL-SUBSTITUTED 2-PYRIDAZIN-3(2H)-ONE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES ARRAY BIOPHARMA, INC. 2017-09-14 US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 US disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 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 (8 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-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 MTNR1A 3266/4885MTNR1B 3200/4885GSK3B 263/4885
US-10208024-B2 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2H)-one compounds as inhibitors of FGFR tyrosine kinases FGFR1, FGFR2, FGFR3 MTNR1A 1567/4885MTNR1B 1483/4885GSK3B 627/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 MTNR1A 3266/4885MTNR1B 3200/4885GSK3B 263/4885
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 MTNR1A 1322/4885MTNR1B 826/4885GSK3B 1274/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 MTNR1A 3266/4885MTNR1B 3200/4885GSK3B 263/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A MTNR1A 529/4885MTNR1B 1234/4885GSK3B 560/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 MTNR1A 1322/4885MTNR1B 826/4885GSK3B 1274/4885
US-20170260168-A1 2-ARYL- AND 2-HETEROARYL-SUBSTITUTED 2-PYRIDAZIN-3(2H)-ONE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES FGFR1, FGFR2, FGFR3 MTNR1A 1567/4885MTNR1B 1483/4885GSK3B 627/4885

“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.