Sugi Predict

Sugi Predict / Compounds / SCHEMBL4701703

SCHEMBL4701703

SCHEMBL4701703

CCOC(=O)c1cc2cc3c(nc2s1)CCC([Si](C)(C)C)C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.41
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 7/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MAPT P10636 7/20 0.37
▸ POLB P06746 2/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL4703675 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL5995334 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL5997840 0.83 RORC (0.46) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL4705338 0.83 RORC (0.46) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL4705340 0.83 RORC (0.46) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL4705577 0.83 RAB9A (0.38) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5996076 0.77 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTDP1NPC1
SCHEMBL22699229 0.70 RAB9A (0.39) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL4701786 0.69 MAPT (0.40) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL22699253 0.69 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 — — EP disclosed
US-20060281778-A1 Compounds for inhibiting KSP Kinesin activity SCHERING CORPORATION 2006-12-14 — — US disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 — — US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 — — 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 (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-20060281778-A1 Compounds for inhibiting KSP Kinesin activity KIFC1, KIF5B, KIF2C KDM4E 501/4885ALDH1A1 2371/4885HPGD 4077/4885
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C KDM4E 501/4885ALDH1A1 2371/4885HPGD 4077/4885

“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.