Sugi Predict

Sugi Predict / Compounds / SCHEMBL4572244

SCHEMBL4572244

SCHEMBL4572244

O=Nc1cccc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.50
▸ PIK3CD O00329 1/20 0.42
▸ RHEB Q15382 8/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ DHPS P49366 2/20 0.39
▸ TRPA1 O75762 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ITGB2 P05107 1/20 0.37
▸ ICAM1 P05362 1/20 0.37
▸ ITGAL P20701 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ ADK P55263 1/20 0.37
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ ASH1L Q9NR48 1/20 0.36

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
SCHEMBL4118127 0.79 AHR (0.50) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL4023666 0.79 CYP3A4 (0.47) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL30564127 0.79 CYP3A4 (0.47) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL4860242 0.76 PARP1 (0.56) —
SCHEMBL31448026 0.75 AHR (0.46) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL4796603 0.75 ALDH1A1 (0.52) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL7363256 0.72 HPGD (0.48) AHRMAPK1
SCHEMBL1037724 0.72 AHR (0.47) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL10285606 0.72 CA12 (0.44) MAPK1CA1CA4CA6
SCHEMBL28199441 0.72 PARP1 (0.37) AHRRHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107002151-A Method of delivering an analyte to a transmembrane pore 牛津纳米孔技术公司 2017-08-01 — — CN disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 — — US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 — — US disclosed
US-20090312554-A1 Novel Process for the Preparation of Hexacyclic Compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-12-17 — — US disclosed
US-7595400-B2 Synthesis of antitumor agents including camptothecin derivative 9-ethyl-9-hydroxy-1-pentyl-1H,12H-pyrano[3'',4'':6',7']-indolizino[1',2':6,5]pyrido[4,3,2-de]quinazoline-10,13(9H,15H)-dione CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-09-29 — — 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 (3 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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 AHR 2784/4885PIK3CD 3362/4885RHEB 195/4885
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 AHR 1112/4885PIK3CD 420/4885RHEB 458/4885
US-20090312554-A1 Novel Process for the Preparation of Hexacyclic Compounds CYP11B1, CYP4A11, CYP51A1 AHR 1771/4885PIK3CD 1116/4885RHEB 1398/4885

“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.