SCHEMBL2953756

SCHEMBL2953756

N#Cc1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPK14 Q16539 5/20 0.36
MAT2A P31153 1/20 0.34
MPI P34949 2/20 0.33
PHOSPHO1 Q8TCT1 2/20 0.33
G6PD P11413 1/20 0.33
TP53 P04637 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
PMM2 O15305 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TLR9 Q9NR96 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MIF P14174 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL2953042 0.90 MAPK14 (0.40) ALDH1A1MAPK14NPC1RAB9AGAA
SCHEMBL2952187 0.90 POLB (0.35) ALDH1A1MAPK14MAT2AMPIPHOSPHO1
SCHEMBL2958122 0.88 PMM2 (0.39) ALDH1A1MAPK14MPIPHOSPHO1TP53
SCHEMBL2959772 0.87 ALDH1A1 (0.38) ALDH1A1MAPK14MPIPHOSPHO1G6PD
SCHEMBL2960274 0.84 G6PD (0.30) G6PD
SCHEMBL2958691 0.82 CLK1 (0.32) MAPK14MAPTRXFP1
Ammonia Solution, Strong SCHEMBL2949465 0.82 ALDH1A1 (0.44) ALDH1A1MAPK14MPIPHOSPHO1G6PD
SCHEMBL2958990 0.82 SOS1 (0.40) ALDH1A1MAPK14MAT2AMPIPHOSPHO1
SCHEMBL1267170 0.82 ALDH1A1 (0.44) ALDH1A1MAPK14MPIPHOSPHO1G6PD
SCHEMBL2959762 0.81 CDK4 (0.38) ALDH1A1G6PDSMN1; SMN2GAAKDM4E

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-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

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 ALDH1A1 1045/4885MAPK14 12/4885MAT2A 2474/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885MAPK14 32/4885MAT2A 3129/4885

“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.