SCHEMBL4838632

SCHEMBL4838632

Brc1nc(Br)n(Cc2ccccc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
MAPT P10636 1/20 0.45
CYP19A1 P11511 2/20 0.42
TNF P01375 1/20 0.42
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE6D O43924 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL19924941 0.83 ADORA2A (0.48) ADORA2AADORA1MAPTCYP19A1TNF
SCHEMBL21332695 0.83 KDM4E (0.42) MAPTCYP19A1TNFLMNASMN1; SMN2
SCHEMBL4836206 0.81 MAPT (0.61) MAPTTNFLMNASMN1; SMN2ALDH1A1
SCHEMBL8536407 0.78 ALDH1A1 (0.46) ADORA2AADORA1MAPTLMNASMN1; SMN2
SCHEMBL15554598 0.75 KDM4E (0.50) ADORA2AADORA1MAPTCYP19A1TNF
SCHEMBL8880387 0.74 TNF (0.65) MAPTTNFLMNASMN1; SMN2ALDH1A1
SCHEMBL4830285 0.70 MAPT (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL6690754 0.69 PKM (0.51) ADORA2AADORA1MAPTLMNASMN1; SMN2
SCHEMBL9219600 0.69 ADORA2A (0.43) ADORA2AADORA1MAPTCYP19A1TNF
SCHEMBL2567869 0.68 ADORA2A (0.48) ADORA2AADORA1MAPTTNFALDH1A1

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
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 ADORA2A 4104/4885ADORA1 3387/4885MAPT 1235/4885

“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.