SCHEMBL2955772

SCHEMBL2955772

NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
BRAF P15056 3/20 0.38
HTR7 P34969 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
IKBKB O14920 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL2958575 0.91 CDK4 (0.38) TSHRMAPTMEN1KMT2AGFER
SCHEMBL2955616 0.90 TDO2 (0.41) MAPTTP53POLBALDH1A1
SCHEMBL2956387 0.90 MAPT (0.43) MAPTMEN1KMT2APOLBGFER
SCHEMBL2952784 0.90 NPC1 (0.41) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL2956783 0.88 PDE4B (0.42) MAPTTP53POLBALDH1A1LMNA
SCHEMBL2958196 0.87 MEN1 (0.40) CYP3A4TSHRMAPTTP53MEN1
SCHEMBL2960203 0.87 MAPT (0.45) TSHRMAPTTP53MEN1KMT2A
SCHEMBL2950080 0.87 CSF1R (0.42) ALDH1A1LMNAPDE4APDE4BPDE4C
SCHEMBL2958025 0.85 DHODH (0.37) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL2960252 0.85 UBE2M (0.36) TSHRMAPTALDH1A1LMNAPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US claimed
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 CYP3A4 1284/4885TSHR 1046/4885MAPT 4305/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 CYP3A4 1282/4885TSHR 1480/4885MAPT 4495/4885

“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.