Sugi Predict

Sugi Predict / Compounds / SCHEMBL3530436

SCHEMBL3530436

SCHEMBL3530436

Nc1cc(Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2nc([C@H]3CC[C@H](N)CC3)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL3530417 0.83 CCNE1 (0.54) —
SCHEMBL3026341 0.80 FLT3 (0.40) MAPTMAPK1
SCHEMBL3023110 0.79 SRC (0.43) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL3018102 0.79 SRC (0.43) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL3006895 0.79 SRC (0.43) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL3023974 0.79 EGFR (0.38) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL3018598 0.79 EGFR (0.34) —
SCHEMBL3028220 0.79 CDK1 (0.39) L3MBTL1MAPTKMT2AMEN1KDM4E
SCHEMBL3026270 0.79 CDK1 (0.39) MAPTGAAERBB2
SCHEMBL3533740 0.77 BTK (0.44) KDM4E

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
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 — — EP claimed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US claimed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — US claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 — — US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — 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 (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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 KCNA5 2068/4885RXFP1 2260/4885HTT 4857/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KCNA5 3826/4885RXFP1 4199/4885HTT 4844/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 KCNA5 1221/4885RXFP1 2307/4885HTT 4753/4885

“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.