Sugi Predict

Sugi Predict / Compounds / SCHEMBL3017950

SCHEMBL3017950

SCHEMBL3017950

CCOc1ccc(Nc2cc(Cl)nn3ccnc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ EHMT2 Q96KQ7 1/20 0.44
▸ MAPT P10636 7/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SYK P43405 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3017421 0.81 CCNE1 (0.39) KDM4EMAPTMAPK1SYKSMN1; SMN2
SCHEMBL3018593 0.78 SYK (0.38) MAPTSYKSRC
SCHEMBL3020571 0.78 KDM4E (0.45) KDM4ENFKB1EHMT2MAPTMAPK1
SCHEMBL3024026 0.78 SYK (0.39) KDM4EMAPTSYKKMT2AJAK2
SCHEMBL3022774 0.77 KDM4E (0.44) KDM4ENFKB1EHMT2MAPTMAPK1
SCHEMBL3017152 0.77 EHMT2 (0.46) KDM4ENFKB1EHMT2MAPTMAPK1
SCHEMBL3009479 0.77 SYK (0.39) SYK
SCHEMBL3021493 0.77 SYK (0.48) SYKJAK2
SCHEMBL3026977 0.76 KDM4E (0.43) KDM4ENFKB1EHMT2MAPTMAPK1
SCHEMBL3019176 0.76 KDM4E (0.43) KDM4ENFKB1EHMT2MAPTMAPK1

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
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 — — EP disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 KDM4E 853/4885NFKB1 2348/4885EHMT2 1058/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 KDM4E 1137/4885NFKB1 1366/4885EHMT2 989/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 KDM4E 1158/4885NFKB1 1670/4885EHMT2 1302/4885

“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.