SCHEMBL2960072

SCHEMBL2960072

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccc(C(C)(C)O)cc2)c1Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.42
MAPT P10636 6/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CSF1R P07333 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
MDM2 Q00987 1/20 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
SCHEMBL1266606 0.90 MAPT (0.49) DHODHMAPTRAB9ANPC1HPGD
SCHEMBL2955536 0.86 FNTA (0.44) DHODHMAPTRAB9ANPC1HPGD
SCHEMBL2957153 0.86 MEN1 (0.46) DHODHMAPTRAB9ANPC1HPGD
SCHEMBL2955932 0.85 MAPT (0.42) DHODHMAPTRAB9ANPC1HPGD
SCHEMBL2949273 0.84 MAPT (0.42) DHODHMAPTRAB9ANPC1HPGD
SCHEMBL2954053 0.84 DHODH (0.50) DHODHMAPTRAB9ANPC1HPGD
SCHEMBL2958676 0.84 ALDH1A1 (0.47) DHODHMAPTRAB9ANPC1HPGD
SCHEMBL2960379 0.84 FNTA (0.42) DHODHMAPTRAB9ANPC1HPGD
SCHEMBL2958569 0.83 MAPT (0.43) DHODHMAPTRAB9ANPC1HPGD
SCHEMBL2953098 0.83 MAPT (0.46) DHODHMAPTRAB9ANPC1HPGD

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 DHODH 3134/4885MAPT 4305/4885RAB9A 3150/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 DHODH 3227/4885MAPT 4495/4885RAB9A 2791/4885

“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.