Sugi Predict

Sugi Predict / Compounds / SCHEMBL2955571

SCHEMBL2955571

SCHEMBL2955571

O=C(c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ LMNA P02545 4/20 0.43
▸ RECQL P46063 1/20 0.43
▸ EEF2K O00418 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MAP2K2 P36507 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35

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
SCHEMBL2959764 0.92 ALDH1A1 (0.44) ALDH1A1LMNARECQLHPGDHSD17B10
SCHEMBL1266526 0.91 ALDH1A1 (0.41) ALDH1A1LMNARECQLEEF2KMAPK14
SCHEMBL1266862 0.91 ALDH1A1 (0.41) ALDH1A1LMNARECQLEEF2KMAPT
SCHEMBL1267221 0.90 ALDH1A1 (0.37) ALDH1A1LMNARECQLEEF2KMAP2K2
SCHEMBL1266928 0.89 ALDH1A1 (0.39) ALDH1A1LMNARECQLEEF2KMAPK14
SCHEMBL1265676 0.89 ALDH1A1 (0.39) ALDH1A1LMNARECQLEEF2KMAPK14
SCHEMBL1267128 0.89 ALDH1A1 (0.39) ALDH1A1LMNARECQLEEF2KMAPK14
SCHEMBL1266269 0.89 MAP2K1 (0.40) ALDH1A1LMNARECQLEEF2KMAPK14
SCHEMBL3836653 0.89 ALDH1A1 (0.40) ALDH1A1LMNARECQLHSD17B10KDM4E
SCHEMBL1266863 0.89 ALDH1A1 (0.38) ALDH1A1LMNARECQLEEF2KMAPK14

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 1045/4885LMNA 3193/4885RECQL 2194/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885LMNA 3052/4885RECQL 2278/4885

“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.