SCHEMBL2959772

SCHEMBL2959772

Cc1ccccc1-n1c(=O)ccc2c(Nc3ccc(F)cc3F)c(C#N)sc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MPI P34949 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
G6PD P11413 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK14 Q16539 5/20 0.35
GAA P10253 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL2953756 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EMPIMAPTG6PD
SCHEMBL2950115 0.85 LMNA (0.35) ALDH1A1KDM4EMPIMAPTLMNA
SCHEMBL2952187 0.83 POLB (0.35) ALDH1A1KDM4EMPIMAPTG6PD
SCHEMBL2959273 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EMPIMAPTLMNA
SCHEMBL2953042 0.82 MAPK14 (0.40) ALDH1A1MAPTMAPK14GAANPC1
SCHEMBL2958122 0.81 PMM2 (0.39) ALDH1A1MPIMAPTSMN1; SMN2APOBEC3G
SCHEMBL2952051 0.80 IDO1 (0.38) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2952952 0.77 CHRNA7 (0.35) LMNAMAPK14GAAMAPK13MAPK12
SCHEMBL2955895 0.77 MEN1 (0.35) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL2958691 0.76 CLK1 (0.32) MAPTMAPK14RXFP1

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 ALDH1A1 1045/4885KDM4E 2174/4885MPI 4192/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885KDM4E 2211/4885MPI 4515/4885

“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.