SCHEMBL19924941

SCHEMBL19924941

Clc1c(Br)nc(Br)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP19A1 P11511 3/20 0.42
TNF P01375 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PDE6D O43924 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 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
SCHEMBL4838632 0.83 ADORA2A (0.49) ADORA2AADORA1CYP19A1TNFMAPT
SCHEMBL15554598 0.74 KDM4E (0.50) ADORA2AADORA1CYP19A1TNFMAPT
SCHEMBL8880387 0.73 TNF (0.65) TNFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21332695 0.70 KDM4E (0.42) CYP19A1TNFMAPTALDH1A1LMNA
SCHEMBL28111190 0.70 CFTR (0.50) ADORA2AADORA1TNFALDH1A1LMNA
SCHEMBL4836206 0.69 MAPT (0.61) TNFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2913215 0.68 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL6690754 0.68 PKM (0.51) ADORA2AADORA1MAPTALDH1A1LMNA
SCHEMBL9219600 0.68 ADORA2A (0.43) ADORA2AADORA1CYP19A1TNFMAPT
SCHEMBL2567869 0.67 ADORA2A (0.48) ADORA2AADORA1TNFMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507281-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2019-07-10 EP disclosed
US-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-07-04 US disclosed
US-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-07-04 US disclosed
WO-2018041964-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-08 WO disclosed
WO-2018041964-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-08 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 (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-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS BRD4, BRPF3, BRD3 ADORA2A 4025/4885ADORA1 2282/4885CYP19A1 3203/4885

“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.