SCHEMBL18339237

SCHEMBL18339237

Cn1cc2ccc(CCl)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NSD2 O96028 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KDM4C Q9H3R0 1/20 0.40
NOTUM Q6P988 1/20 0.37
ADCY10 Q96PN6 4/20 0.37
KIT P10721 3/20 0.34
PDGFRA P16234 3/20 0.34
KDR P35968 3/20 0.34
MET P08581 1/20 0.33
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SLC5A2 P31639 1/20 0.32

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
SCHEMBL18339245 0.86 KDM4E (0.45) MAPTKDM4ENSD2ALDH1A1KDM4C
SCHEMBL12729869 0.84 KDM4E (0.58) MAPTKDM4ENSD2ALDH1A1KDM4C
SCHEMBL904782 0.82 MAPT (0.61) MAPTKDM4ENSD2ALDH1A1KDM4C
SCHEMBL3436679 0.82 MAPT (0.56) MAPTKDM4ENSD2ALDH1A1KDM4C
SCHEMBL24664403 0.79 MAPT (0.53) MAPTKDM4ENSD2ALDH1A1KDM4C
SCHEMBL30570132 0.79 MAPT (0.53) MAPTKDM4ENSD2ALDH1A1KDM4C
SCHEMBL30570094 0.79 MAPT (0.53) MAPTKDM4ENSD2ALDH1A1KDM4C
SCHEMBL28265750 0.77 MAPT (0.50) MAPTKDM4ENSD2ALDH1A1KDM4C
SCHEMBL30007444 0.76 MAPT (0.53) MAPTKDM4ENSD2ALDH1A1KDM4C
SCHEMBL3078992 0.76 IRAK4 (0.41) MAPTKDM4ENSD2ALDH1A1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10899752-B2 2,3-dihydro-4H-1,3-benzoxazin-4-one derivatives as modulators of cholinergic muscarinic M1 receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-26 US disclosed
EP-3313836-B1 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2020-11-11 EP disclosed
US-10428056-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-01 US disclosed
US-20190248776-A1 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2019-08-15 US disclosed
US-10323027-B2 2,3-dihydro-4H-1,3-benzoxazin-4-one derivatives as modulators of cholinergic muscarinic M1 receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-18 US disclosed
US-20180362516-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-12-20 US disclosed
US-10087150-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-02 US disclosed
US-20180162850-A1 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-14 US disclosed
EP-3313836-A1 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2018-05-02 EP disclosed
US-20180050996-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-02-22 US disclosed
US-9878989-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-30 US disclosed
WO-2016208775-A1 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-29 WO disclosed
US-20160376244-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-29 US 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 (9 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-10899752-B2 2,3-dihydro-4H-1,3-benzoxazin-4-one derivatives as modulators of cholinergic muscarinic M1 receptor CHRM1, CHRM4, CHRM2 MAPT 166/4885KDM4E 742/4885NSD2 715/4885
US-20180362516-A1 HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 MAPT 121/4885KDM4E 893/4885NSD2 605/4885
US-20160376244-A1 HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 MAPT 121/4885KDM4E 893/4885NSD2 605/4885
US-10087150-B2 Heterocyclic compound CHRM1, CHRM5, CHRM2 MAPT 121/4885KDM4E 893/4885NSD2 605/4885
US-20180050996-A1 HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 MAPT 121/4885KDM4E 893/4885NSD2 605/4885
US-20190248776-A1 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR CHRM1, CHRM4, CHRM2 MAPT 166/4885KDM4E 742/4885NSD2 715/4885
US-10323027-B2 2,3-dihydro-4H-1,3-benzoxazin-4-one derivatives as modulators of cholinergic muscarinic M1 receptor CHRM1, CHRM4, CHRM2 MAPT 166/4885KDM4E 742/4885NSD2 715/4885
US-20180162850-A1 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR CHRM1, CHRM4, CHRM2 MAPT 166/4885KDM4E 742/4885NSD2 715/4885
US-10428056-B2 Heterocyclic compound CHRM1, CHRM5, CHRM2 MAPT 121/4885KDM4E 893/4885NSD2 605/4885

“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.