SCHEMBL16341199

SCHEMBL16341199

COc1ccc(Cn2nc(C(=O)Nc3cc[nH]n3)c(=O)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 6/20 0.55
▸ P2RX4 Q99571 1/20 0.50
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ AURKA O14965 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ CHRM1 P11229 1/20 0.45
▸ HDAC1 Q13547 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ BUB1 O43683 2/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL16340925 0.85 PTGER4 (0.63) PTGER4P2RX4CNR1CNR2CHRM1
SCHEMBL16341808 0.82 PTGER4 (0.57) PTGER4P2RX4CNR1CNR2CHRM1
SCHEMBL16341256 0.82 PTGER4 (0.56) PTGER4P2RX4CNR1CNR2CHRM1
SCHEMBL16341865 0.81 PTGER4 (0.66) PTGER4P2RX4CNR1CNR2CHRM1
SCHEMBL16341822 0.80 PTGER4 (0.64) PTGER4P2RX4CNR1CNR2CHRM1
SCHEMBL16341191 0.78 PTGER4 (0.62) PTGER4P2RX4CNR1CNR2CHRM1
SCHEMBL16341426 0.78 PTGER4 (0.62) PTGER4P2RX4CNR1CNR2CHRM1
SCHEMBL22416146 0.78 PTGER4 (0.62) PTGER4P2RX4CNR1CNR2CHRM1
SCHEMBL16341433 0.78 PTGER4 (0.62) PTGER4P2RX4CNR1CNR2CHRM1
SCHEMBL16341676 0.78 PTGER4 (0.62) PTGER4P2RX4CNR1CNR2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2821401-B1 DIHYDROQUINOLINONE COMPOUNDS AS MODULATORS OF THE MUSCARININC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2020-09-09 — — EP disclosed
EP-2821401-B1 DIHYDROQUINOLINONE COMPOUNDS AS MODULATORS OF THE MUSCARININC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2020-09-09 — — EP disclosed
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 — — US disclosed
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 — — US disclosed
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 — — US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 — — US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 — — US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 — — US disclosed
EP-2821401-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR Takeda Pharmaceutical Company Limited (JP) 2015-01-07 — — EP disclosed
EP-2821401-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR Takeda Pharmaceutical Company Limited (JP) 2015-01-07 — — EP 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 (1 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-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR CHRM1, CHRM4, CHRM2 PTGER4 629/4885P2RX4 395/4885CNR1 13/4885

“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.

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