SCHEMBL20874692

SCHEMBL20874692

Cc1nc2ncc(Br)cc2n1Cc1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 2/20 0.40
NR2F2 P24468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABL1 P00519 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RIN1 Q13671 1/20 0.37
MET P08581 2/20 0.35
BRD4 O60885 1/20 0.34
TNF P01375 1/20 0.34
HRH4 Q9H3N8 3/20 0.34
AKT1 P31749 2/20 0.34
ESR1 P03372 1/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33

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
SCHEMBL20875037 0.84 BRD4 (0.46) GALR3NR2F2ALDH1A1ABL1POLB
SCHEMBL17807866 0.82 TNF (0.52) GALR3NR2F2ALDH1A1MAPTMAPK1
SCHEMBL20874763 0.81 GRIN1 (0.36) GALR3NR2F2SMN1; SMN2ALDH1A1MAPT
SCHEMBL20875064 0.81 GRIN1 (0.39) GALR3NR2F2SMN1; SMN2ALDH1A1MAPT
SCHEMBL20874712 0.81 ABL1 (0.46) GALR3NR2F2ABL1POLBHPGD
SCHEMBL20875098 0.80 GABRA1 (0.48) GALR3NR2F2ALDH1A1MAPTNPSR1
SCHEMBL20874971 0.80 GRIN1 (0.36) GALR3NR2F2SMN1; SMN2ABL1POLB
SCHEMBL20874855 0.79 BRD4 (0.42) GALR3NR2F2SMN1; SMN2ALDH1A1ABL1
SCHEMBL20875111 0.78 POLB (0.40) GALR3NR2F2SMN1; SMN2MAPTNPSR1
SCHEMBL22516485 0.78 GALR3 (0.51) GALR3NR2F2SMN1; SMN2ALDH1A1MAPT

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
EP-3450436-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-07-27 EP disclosed
US-11390634-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-07-19 US disclosed
CN-109415384-B Fused heterocyclic compound 武田药品工业株式会社 2022-01-11 CN disclosed
US-20210115067-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-22 US disclosed
US-10981934-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-20 US disclosed
US-20200140462-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-07 US disclosed
US-10577382-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-03-03 US disclosed
US-20190106437-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-11 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 (6 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-20200140462-A1 FUSED HETEROCYCLIC COMPOUND REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GALR3 4753/4885NR2F2 421/4885SMN1; SMN2 3243/4885
US-10577382-B2 Fused heterocyclic compound REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GALR3 4746/4885NR2F2 464/4885SMN1; SMN2 3251/4885
US-10981934-B2 Fused heterocyclic compound REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GALR3 4753/4885NR2F2 421/4885SMN1; SMN2 3243/4885
US-11390634-B2 Fused heterocyclic compound REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GALR3 4753/4885NR2F2 421/4885SMN1; SMN2 3243/4885
US-20210115067-A1 FUSED HETEROCYCLIC COMPOUND REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GALR3 4753/4885NR2F2 421/4885SMN1; SMN2 3243/4885
US-20190106437-A1 FUSED HETEROCYCLIC COMPOUND REN, BRD4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GALR3 4753/4885NR2F2 421/4885SMN1; SMN2 3243/4885

“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.