SCHEMBL3042191

SCHEMBL3042191

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.44
CHRNA7 P36544 1/20 0.40
CCKBR P32239 1/20 0.37
PLA2G10 O15496 3/20 0.36
PLA2G2A P14555 3/20 0.36
PLA2G5 P39877 3/20 0.36
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
PDE4B Q07343 1/20 0.36
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
P2RX3 P56373 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
SCHEMBL2956411 0.89 TOP2A (0.42) TOP2ACHRNA7CCKBRPPARG
SCHEMBL2960203 0.86 MAPT (0.45) PLA2G10
SCHEMBL2958575 0.84 CDK4 (0.38) PDE4B
SCHEMBL2951770 0.84 C1R (0.37) EPHX2
SCHEMBL2960252 0.84 UBE2M (0.36) PDE4B
SCHEMBL2956783 0.83 PDE4B (0.42) TOP2APDE4B
SCHEMBL2952784 0.83 NPC1 (0.41) CHRNA7PDE4B
SCHEMBL2955616 0.83 TDO2 (0.41)
SCHEMBL2956387 0.83 MAPT (0.43) CHRNA7PPARG
SCHEMBL2960395 0.83 TOP2A (0.41) TOP2ACCKBREPHX2GALR2GALR1

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 TOP2A 3464/4885CHRNA7 1817/4885CCKBR 1246/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 TOP2A 3000/4885CHRNA7 2079/4885CCKBR 1083/4885

“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.