SCHEMBL2956418

SCHEMBL2956418

N#Cc1sc2[nH]c(=O)ccc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL22310727 0.68 STS (0.41) UPP1
SCHEMBL29163700 0.64 PDE3B (0.39) UPP1MEN1KMT2APDE3BPDE3A
SCHEMBL22310341 0.64 PIM1 (0.41) PDE3BPDE3A
SCHEMBL2430349 0.63 ALDH1A1 (0.34)
SCHEMBL25926086 0.63 GPR3 (0.44) MEN1KMT2A
SCHEMBL11868384 0.62 MEN1 (0.32) MEN1KMT2A
SCHEMBL21645262 0.62 UPP1 (0.49) UPP1PDE3BPDE3A
SCHEMBL31575258 0.62 UPP1 (0.49) UPP1PDE3BPDE3A
SCHEMBL2429729 0.62 BCL2L1 (0.37) MEN1KMT2A
SCHEMBL1008314 0.62 UPP1 (0.44) UPP1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 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 (2 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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK UPP1 1510/4885MEN1 4273/4885KMT2A 1316/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 UPP1 1739/4885MEN1 3906/4885KMT2A 1383/4885

“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.