Sugi Predict

Sugi Predict / Compounds / SCHEMBL6842797

SCHEMBL6842797

SCHEMBL6842797

Cc1nn2ccccc2c1-c1nc(-c2cnc3[nH]ccc3c2)c(-c2nc[nH]n2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 9/20 0.36
▸ AXL P30530 1/20 0.36
▸ BRD4 O60885 1/20 0.34
▸ PIK3CA P42336 5/20 0.34
▸ MTOR P42345 4/20 0.34
▸ PIK3CD O00329 4/20 0.34
▸ KDR P35968 3/20 0.34
▸ ABL1 P00519 3/20 0.34
▸ SRC P12931 3/20 0.34
▸ PIK3CB P42338 3/20 0.34
▸ PIK3CG P48736 3/20 0.34
▸ EGFR P00533 2/20 0.34
▸ HCK P08631 2/20 0.34
▸ EPHB4 P54760 2/20 0.34
▸ PRKDC P78527 2/20 0.34
▸ CDK7 P50613 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK9 P50750 1/20 0.33

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
SCHEMBL6842790 0.87 PPARD (0.33) BRD4PIK3CAMTORPIK3CDKDR
SCHEMBL6842801 0.84 VCP (0.33) —
SCHEMBL6842795 0.83 MAPK14 (0.35) KDR
SCHEMBL16938002 0.82 CDK8 (0.35) CDK8AXLBRD4PIK3CAMTOR
SCHEMBL6842800 0.82 VCP (0.32) —
SCHEMBL6842805 0.81 KDM5B (0.38) CDK8AXLKDM5B
SCHEMBL6842651 0.81 PTGS2 (0.33) —
SCHEMBL6842716 0.81 VCP (0.32) —
SCHEMBL6842803 0.81 BRD4 (0.35) CDK8BRD4PIK3CAMTORPIK3CD
SCHEMBL955918 0.80 VCP (0.35) —

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 CDK8 622/4885AXL 406/4885BRD4 1202/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDK8 407/4885AXL 1745/4885BRD4 1047/4885

“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.