Sugi Predict

Sugi Predict / Compounds / SCHEMBL2950110

SCHEMBL2950110

SCHEMBL2950110

CN(C)c1ccc(-n2c(=O)ccc3c(Nc4ccccc4)c(C(=O)N4CCCC4)sc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 9/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ POT1 Q9NUX5 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ CSF1R P07333 2/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ DUSP3 P51452 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL2958889 0.90 ALDH1A1 (0.45) MAPTALDH1A1HPGDALOX15MAPK1
SCHEMBL2959276 0.89 ALDH1A1 (0.47) MAPTALDH1A1HPGDALOX15MAPK1
Ammonia Solution, Strong SCHEMBL2956206 0.86 CSF1R (0.38) MAPTTP53CSF1RBTKRAB9A
SCHEMBL2956215 0.84 PARP1 (0.42) TERTMAPTALDH1A1HPGDHSD17B10
SCHEMBL2958030 0.84 ALDH1A1 (0.42) TERTMAPTALDH1A1HPGDALOX15
SCHEMBL2952230 0.83 KDM1A (0.37) MAPTTP53CSF1RRAB9ATLR9
SCHEMBL2957153 0.82 MEN1 (0.46) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL2956227 0.82 ALDH1A1 (0.43) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL2953084 0.81 ALDH1A1 (0.42) MAPTALDH1A1HPGDALOX15MAPK1
SCHEMBL2958967 0.79 TOP2A (0.39) MAPTALDH1A1HPGDALOX15MAPK1

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 TERT 2247/4885MAPT 4305/4885ALDH1A1 1045/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 TERT 2665/4885MAPT 4495/4885ALDH1A1 717/4885

“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.