Sugi Predict

Sugi Predict / Compounds / SCHEMBL6138073

SCHEMBL6138073

SCHEMBL6138073

Cc1cc(I)ccc1Nc1cc2sc(N)nc2cc1-c1nnc(O)o1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6138046 0.80 IDO1 (0.39) IDO1MAP2K1
SCHEMBL6138037 0.76 IDO1 (0.40) IDO1SMN1; SMN2GAARAB9AMAP2K1
SCHEMBL6138103 0.75 IDO1 (0.42) IDO1TP53MAPTHTTMAP2K1
SCHEMBL6137915 0.72 IDO1 (0.39) IDO1MEN1KMT2AMAP2K1
SCHEMBL6137980 0.71 IDO1 (0.39) IDO1ALDH1A1TP53SMN1; SMN2GAA
SCHEMBL6137900 0.69 IDO1 (0.36) IDO1MEN1KMT2AMAP2K1
SCHEMBL6138043 0.69 MEN1 (0.43) IDO1MAPTMEN1KMT2ALCK
SCHEMBL6137781 0.69 MAP2K1 (0.43) IDO1MEN1KMT2AMAP2K1
SCHEMBL6138118 0.68 IDO1 (0.36) IDO1ALDH1A1GAAMAPTKDM4E
SCHEMBL6137940 0.67 IDO1 (0.37) IDO1MEN1KMT2AMAP2K1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 — — EP disclosed
CN-1149204-C 1-heterocyclic substituted diarylamines ��ʲ 2004-05-12 — — CN disclosed
US-6545030-B1 Treating proliferative diseases, the sequelae of a stroke or heart failure, xenograft rejection, osteoarthritis, HIV, rheumatoid arthritis, cystic fibrosis, hepatomegaly, shock,cardiomegaly, Alzheimer's disease, diabetes WARNER-LAMBERT COMPANY 2003-04-08 — — US disclosed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 — — US disclosed
CN-1358095-A Methods of treating chronic pain using MEK inhibitors WARNER LAMBERT CO (US) 2002-07-10 — — CN disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 — — EP disclosed
CN-1334807-A 1-heterocycle substd. diarylamines WARNER LAMBERT CO (US) 2002-02-06 — — CN disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 — — WO 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 (1 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-20030004193-A1 1-Heterocycle substituted diarylamines IDH3A, CCNA1, HCCS IDO1 244/4885ALDH1A1 359/4885TP53 721/4885

“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.