SCHEMBL2958474

SCHEMBL2958474

CCOC(=O)c1sc2nc(OCC3CC3)ccc2c1Nc1ccc(F)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.47
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
BRAF P15056 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.37
FGFR1 P11362 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL2952210 0.86 HPGD (0.48) DHODHALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2947310 0.77 KDM4E (0.42) DHODHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL28753696 0.74 ACACB (0.38) ALDH1A1KDM4EHPGDRAB9A
SCHEMBL2956431 0.71 DHODH (0.46) DHODHALDH1A1KDM4ELMNAMEN1
SCHEMBL2953040 0.67 ALDH1A1 (0.42) DHODHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1267006 0.67 DHODH (0.44) DHODHALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL1266180 0.67 ALDH1A1 (0.45) DHODHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL28757207 0.66 ACACB (0.39)
SCHEMBL2947103 0.66 DHODH (0.40) DHODHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1266272 0.66 DHODH (0.40) DHODHALDH1A1KDM4ELMNASMN1; SMN2

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-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 DHODH 3134/4885ALDH1A1 1045/4885KDM4E 2174/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 DHODH 3227/4885ALDH1A1 717/4885KDM4E 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.