SCHEMBL15230490

SCHEMBL15230490

CCOC(=O)c1[nH]nc(C)c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.56
MAPT P10636 1/20 0.49
HSD17B10 Q99714 2/20 0.47
DUSP3 P51452 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.42
AURKA O14965 1/20 0.39
MAPK10 P53779 1/20 0.39
RIPK1 Q13546 1/20 0.39
CDC25B P30305 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL19253412 0.84 MAPT (0.55) PDE4DMAPTHSD17B10DUSP3CYP1A2
SCHEMBL26103568 0.83 MAPT (0.47) PDE4DMAPTHSD17B10DUSP3CYP1A2
SCHEMBL23294471 0.81 KDM4C (0.50) PDE4DMAPTHSD17B10ALDH1A1HPGD
SCHEMBL27140315 0.81 PDE4D (0.59) PDE4DMAPTHSD17B10CYP1A2CYP2C9
SCHEMBL19634910 0.81 MAPT (0.46) PDE4DMAPTHSD17B10DUSP3CYP1A2
SCHEMBL19635175 0.81 MAPT (0.46) PDE4DMAPTHSD17B10DUSP3CYP1A2
SCHEMBL19635221 0.80 MAPT (0.45) PDE4DMAPTHSD17B10DUSP3CYP1A2
SCHEMBL20379573 0.80 MAPT (0.45) PDE4DMAPTHSD17B10DUSP3CYP1A2
SCHEMBL2874155 0.80 PDE4D (0.58) PDE4DMAPTHSD17B10DUSP3CYP1A2
SCHEMBL21130898 0.80 PDE4D (0.73) PDE4DMAPTHSD17B10CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-04-27 US disclosed
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-04-27 US disclosed
EP-3710449-B1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS, FOR USE IN THE TREATMENT OF CANCER BROAD INST INC (US) 2022-07-06 EP disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed
US-9434743-B2 Indazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-06 US disclosed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 US disclosed
WO-2013130855-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-06 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 (2 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-20150005232-A1 INDAZOLE DERIVATIVES GPR119, INSR, INSRR PDE4D 2863/4885MAPT 2372/4885HSD17B10 1208/4885
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 PDE4D 4131/4885MAPT 3113/4885HSD17B10 3902/4885

“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.