Sugi Predict

Sugi Predict / Compounds / SCHEMBL6842728

SCHEMBL6842728

SCHEMBL6842728

CCn1cc(-c2nc(-c3ccccc3)c(-c3nc[nH]n3)s2)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ COMT P21964 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RECQL P46063 1/20 0.35
▸ ADORA2A P29274 4/20 0.34
▸ TRPM8 Q7Z2W7 3/20 0.34
▸ FABP4 P15090 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ ATP4A P20648 1/20 0.33
▸ ATP4B P51164 1/20 0.33
▸ ADORA1 P30542 3/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL952688 0.82 COMT (0.36) KDM4ELMNACOMTCDC7DBF4
SCHEMBL13257570 0.77 CDC7 (0.41) KDM4ELMNACDC7DBF4ALDH1A1
SCHEMBL955318 0.75 PTGS2 (0.48) KDM4ECOMTCDC7DBF4ALDH1A1
SCHEMBL953577 0.74 CDC7 (0.50) KDM4ECDC7DBF4ALDH1A1HPGD
SCHEMBL954430 0.73 SLC2A1 (0.36) KDM4ECDC7DBF4ALDH1A1HPGD
SCHEMBL956294 0.72 CDC7 (0.52) KDM4ELMNACDC7DBF4ALDH1A1
SCHEMBL956034 0.72 GAA (0.38) KDM4ELMNACDC7DBF4ALDH1A1
SCHEMBL953702 0.71 PTGS2 (0.42) KDM4ELMNACOMTCDC7DBF4
SCHEMBL953092 0.69 PIM1 (0.37) COMTCDC7DBF4
Hydrochloric Acid SCHEMBL954124 0.69 PPARD (0.31) CDC7DBF4ATP4AATP4B

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
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — 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 (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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 KDM4E 1981/4885LMNA 4454/4885COMT 2155/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KDM4E 2304/4885LMNA 2019/4885COMT 1749/4885

“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.