SCHEMBL20167950

SCHEMBL20167950

COc1ccc(N)c(F)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
EP300 Q09472 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
ALDH1A1 P00352 9/20 0.42
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
APP P05067 1/20 0.39
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL30140381 1.00 IDO1 (0.44) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL27677397 0.83 IDO1 (0.44) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL1429875 0.80 IDO1 (0.48) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL17276035 0.78 MAPT (0.47) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL4300328 0.78 HTR2A (0.41) ALDH1A1PTGS1MAPK1HTTRAB9A
SCHEMBL30829726 0.78 HTR2A (0.41) ALDH1A1PTGS1MAPK1HTTRAB9A
SCHEMBL28133430 0.78 IDO1 (0.47) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL13578451 0.77 TUBB1 (0.44) ALDH1A1CYP3A4L3MBTL1PTGS1APP
SCHEMBL1766161 0.77 IDO1 (0.45) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL27471733 0.77 IDO1 (0.45) IDO1EP300KAT8ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023061294-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 再鼎医药(上海)有限公司 2023-04-20 WO disclosed
WO-2023061294-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 再鼎医药(上海)有限公司 2023-04-20 WO disclosed
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF Epizyme, Inc. 2020-10-08 US disclosed
US-10781208-B2 5,6-dihydro-11H-indolo[2,3-B]quinolin-11-ones as alk inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-22 US disclosed
US-10781208-B2 5,6-dihydro-11H-indolo[2,3-B]quinolin-11-ones as alk inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-22 US disclosed
CN-111343988-A Amine-substituted heterocyclic compounds and derivatives thereof as EHMT2 inhibitors EPIZYME股份有限公司 2020-06-26 CN disclosed
US-20190315741-A1 5,6-DIHYDRO-11H-INDOLO[2,3-B]QUINOLIN-11-ONES AS ALK INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-17 US disclosed
US-20190315741-A1 5,6-DIHYDRO-11H-INDOLO[2,3-B]QUINOLIN-11-ONES AS ALK INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-17 US disclosed
EP-3541816-A1 5,6-DIHYDRO-11H-INDOLO[2,3-B]QUINOLIN-11-ONES AS ALK INHIBITORS The Regents of The University of Michigan (US) 2019-09-25 EP disclosed
WO-2018094134-A1 5,6-DIHYDRO-11H-INDOLO[2,3-B]QUINOLIN-11-ONES AS ALK INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-05-24 WO disclosed
WO-2018094134-A1 5,6-DIHYDRO-11H-INDOLO[2,3-B]QUINOLIN-11-ONES AS ALK INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-05-24 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 (3 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-20190315741-A1 5,6-DIHYDRO-11H-INDOLO[2,3-B]QUINOLIN-11-ONES AS ALK INHIBITORS ALK, KRAS, ABL1 IDO1 481/4885EP300 1488/4885KAT8 4427/4885
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF HNMT, EHMT2, SHMT2 IDO1 824/4885EP300 46/4885KAT8 785/4885
US-10781208-B2 5,6-dihydro-11H-indolo[2,3-B]quinolin-11-ones as alk inhibitors ALK, KRAS, ABL1 IDO1 490/4885EP300 1530/4885KAT8 4547/4885

“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.