SCHEMBL2960352

SCHEMBL2960352

COc1ccc(-n2c(=O)ccc3c(Br)c(C#N)sc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ESRRA P11474 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 2/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
OPRK1 P41145 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGLL Q99685 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 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
SCHEMBL2955547 0.86 ALDH1A1 (0.41) KMT2AMAPTLMNAPOLBKDM4E
SCHEMBL2958718 0.84 PREP (0.33)
SCHEMBL2955623 0.84 KDM4E (0.36) KMT2AMAPTKDM4EALDH1A1GSK3A
SCHEMBL2781979 0.83 ADORA1 (0.37) KMT2AMAPTLMNAPOLBKDM4E
SCHEMBL2960714 0.75 EP300 (0.37) KMT2AMAPTPOLBALDH1A1HTT
SCHEMBL2958122 0.74 PMM2 (0.39) MAPTPOLBALDH1A1NPC1RAB9A
SCHEMBL2954022 0.74 ALDH1A1 (0.37) KMT2AMAPTLMNAKDM4EALDH1A1
SCHEMBL2960372 0.71 ALDH1A1 (0.42) KMT2AMAPTLMNAPOLBKDM4E
SCHEMBL2947080 0.68
SCHEMBL2780092 0.68 ALDH1A1 (0.38) KMT2AMAPTLMNAPOLBKDM4E

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 KMT2A 1316/4885MAPT 4305/4885LMNA 3193/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 KMT2A 1383/4885MAPT 4495/4885LMNA 3052/4885

“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.