SCHEMBL2960302

SCHEMBL2960302

CC(=O)c1ccc(-n2c(=O)ccc3c(Br)c(C#N)sc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
TSHR P16473 1/20 0.34
PGR P06401 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
ADAM17 P78536 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
HBB P68871 1/20 0.30
KCNJ1 P48048 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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 0.85 ALDH1A1 (0.41) KMT2AMEN1HSD17B10ALDH1A1MAPT
SCHEMBL2781979 0.82 ADORA1 (0.37) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL2956120 0.75 MAPT (0.40) KMT2AMEN1HSD17B10MAPTNPC1
SCHEMBL2960714 0.74 EP300 (0.37) KMT2AMEN1HSD17B10ALDH1A1MAPT
SCHEMBL2947085 0.71 KMT2A (0.45) KMT2AMEN1TSHRHSD17B10ALDH1A1
SCHEMBL1266756 0.71 ALDH1A1 (0.37) ALDH1A1MAPTGAA
SCHEMBL2781649 0.71 ALDH1A1 (0.38) KMT2AMEN1TSHRPGRHSD17B10
SCHEMBL2960372 0.70 ALDH1A1 (0.42) KMT2AMEN1TSHRHSD17B10ALDH1A1
SCHEMBL1267410 0.68 LMNA (0.38) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL2782402 0.67 PTGFR (0.33) KMT2AMEN1TSHRHSD17B10ALDH1A1

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 1316/4885MEN1 4273/4885TSHR 1046/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 KMT2A 1383/4885MEN1 3906/4885TSHR 1480/4885

“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.