SCHEMBL2956783

SCHEMBL2956783

CCc1cccc(Nc2c(C(N)=O)sc3c2ccc(=O)n3-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CSNK2A1 P68400 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.36
SYK P43405 2/20 0.36
TOP2A P11388 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
SCHEMBL2956387 0.88 MAPT (0.43) MAPTKDM4EALDH1A1NPSR1POLB
SCHEMBL2955772 0.88 CYP3A4 (0.39) PDE4BMAPTKDM4EALDH1A1LMNA
SCHEMBL2958575 0.88 CDK4 (0.38) PDE4BMAPTKDM4EALDH1A1HPGD
SCHEMBL2952784 0.86 NPC1 (0.41) PDE4BMAPTKDM4EALDH1A1LMNA
SCHEMBL2955616 0.86 TDO2 (0.41) MAPTALDH1A1HTTPOLBKDR
SCHEMBL2958196 0.85 MEN1 (0.40) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL2960203 0.83 MAPT (0.45) MAPTHTTPOLBRAB9ATP53
SCHEMBL3042191 0.83 TOP2A (0.44) PDE4BTOP2A
SCHEMBL2960654 0.82 RAPGEF4 (0.38) PDE4BMAPTKDM4EUSP2ALDH1A1
SCHEMBL2958644 0.82 RAB9A (0.39) MAPTKDM4EALDH1A1LMNAHPGD

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 PDE4B 3425/4885MAPT 4305/4885KDM4E 2174/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 PDE4B 4013/4885MAPT 4495/4885KDM4E 2211/4885

“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.