Sugi Predict

Sugi Predict / Compounds / SCHEMBL2958911

SCHEMBL2958911

SCHEMBL2958911

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccc(OCCn3ccnc3C)cc2)c1Nc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 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
SCHEMBL2958974 0.91 PDE6D (0.37) PDE6DNPC1CYP2C19HRH3KCNH2
SCHEMBL2952219 0.87 ATM (0.37) CYP2C19THRBHRH3ATML3MBTL1
SCHEMBL2958991 0.82 ALDH1A1 (0.39) NPC1THRBMAPTRXFP1MAP2K2
SCHEMBL2958080 0.82 ALDH1A1 (0.42) NPC1THRBATML3MBTL1MAPT
SCHEMBL1266007 0.82 MAPT (0.42) THRBMAPTRXFP1MAP2K2MAP2K1
SCHEMBL2952416 0.81 THRB (0.37) CYP2C19THRBATML3MBTL1MAPT
SCHEMBL2948972 0.80 MAPK14 (0.37) CYP2C19THRBATML3MBTL1MAPT
SCHEMBL2959249 0.80 ALDH1A1 (0.37) THRBKCNH2MAPTRXFP1MAP2K2
SCHEMBL5651822 0.79 PDE6D (0.39) PDE6DNPC1CYP2C19MAPTALDH1A1
SCHEMBL2954067 0.78 MAPK14 (0.42) THRBKCNH2MAPTRXFP1MAP2K2

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 PDE6D 3491/4885NPC1 2692/4885CYP2C19 1355/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 PDE6D 3876/4885NPC1 2803/4885CYP2C19 1334/4885

“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.