Sugi Predict

Sugi Predict / Compounds / SCHEMBL2205535

SCHEMBL2205535

SCHEMBL2205535

COc1cccc2c(Nc3cc(C)n[nH]3)nc(Sc3ccc(NS(C)(=O)=O)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 12/20 0.54
▸ AURKB Q96GD4 11/20 0.54
▸ GSK3B P49841 10/20 0.54
▸ SRC P12931 8/20 0.54
▸ AURKC Q9UQB9 1/20 0.39
▸ GLA P06280 2/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ ABCC4 O15439 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ TOP1 P11387 1/20 0.37
▸ TOP2A P11388 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ TSHR P16473 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
SCHEMBL2201946 0.89 AURKA (0.56) AURKAAURKBGSK3BSRCAURKC
SCHEMBL7107335 0.87 AURKA (0.71) AURKAAURKBGSK3BSRCAURKC
SCHEMBL2200771 0.86 AURKB (0.53) AURKAAURKBGSK3BSRCAURKC
SCHEMBL2203460 0.84 AURKA (0.75) AURKAAURKBGSK3BSRCAURKC
SCHEMBL2204076 0.75 AURKB (0.56) AURKAAURKBGSK3BSRCAURKC
SCHEMBL2204638 0.75 AURKA (0.61) AURKAAURKBGSK3BSRCAURKC
SCHEMBL12430598 0.75 AURKA (0.75) AURKAAURKBGSK3BSRCAURKC
SCHEMBL2201390 0.74 AURKB (0.54) AURKAAURKBGSK3BSRCAURKC
SCHEMBL2206017 0.74 AURKA (0.61) AURKAAURKBGSK3BSRCAURKC
SCHEMBL12430558 0.74 AURKB (0.72) AURKAAURKBGSK3BSRCAURKC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345926-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP claimed
US-6653301-B2 For therapy of cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-11-25 — — US claimed
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US claimed
US-7982037-B2 (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-19 — — US disclosed
EP-2264028-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-22 — — EP disclosed
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-17 — — US disclosed
US-7625913-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-01 — — US disclosed
US-7531536-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 — — US disclosed
EP-1702920-A1 Pyrazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2006-09-20 — — EP disclosed
US-7087603-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-08-08 — — US disclosed
EP-1345926-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP disclosed
US-20050038023-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-02-17 — — US disclosed
US-20040214814-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 — — US disclosed
US-20040132781-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-07-08 — — US disclosed
US-6664247-B2 Especially as inhibitors of Aurora-2 and GSK-3, for treating diseases such as cancer, diabetes and Alzheimer's disease. VERTEX PHARMACEUTICALS INCORPORATED 2003-12-16 — — US disclosed
US-6653301-B2 For therapy of cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-11-25 — — US disclosed
US-6653300-B2 Anticancer agents; autoimmune diseases VERTEX PHARMACEUTICALS INCORPORATED 2003-11-25 — — US disclosed
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-02-20 — — US disclosed
US-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-02 — — 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 (7 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-20040214814-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885AURKB 5/4885GSK3B 3/4885
US-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors AURKC, AURKA, GSKIP AURKA 2/4885AURKB 6/4885GSK3B 4/4885
US-20040132781-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885AURKB 6/4885GSK3B 3/4885
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, AURKC, AURKA AURKA 3/4885AURKB 7/4885GSK3B 1/4885
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885AURKB 6/4885GSK3B 3/4885
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885AURKB 4/4885GSK3B 3/4885
US-20050038023-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, AURKC, AURKA AURKA 3/4885AURKB 7/4885GSK3B 1/4885

“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.