Sugi Predict

Sugi Predict / Compounds / SCHEMBL2206599

SCHEMBL2206599

SCHEMBL2206599

Cc1cc(Nc2nc(Cl)nc3ccccc23)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.50
▸ PDE5A O76074 1/20 0.50
▸ AURKA O14965 12/20 0.45
▸ GSK3B P49841 11/20 0.45
▸ AURKB Q96GD4 6/20 0.45
▸ SRC P12931 6/20 0.45
▸ GSK3A P49840 3/20 0.45
▸ EIF2AK2 P19525 1/20 0.45
▸ NTRK1 P04629 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL786402 0.84 GSK3B (0.65) PDE5AAURKAGSK3BAURKBSRC
Chlorobenzene SCHEMBL27577226 0.83 APP (0.52) APPAURKAGSK3BAURKBSRC
SCHEMBL3763488 0.83 AURKA (0.47) APPPDE5AAURKAGSK3BAURKB
SCHEMBL28978692 0.83 NTRK1 (0.40) AURKANTRK1
SCHEMBL2206853 0.83 AURKA (0.66) AURKAGSK3BSRCSMN1; SMN2
SCHEMBL786017 0.82 CYP1A2 (0.61) PDE5AAURKAGSK3BAURKBSRC
SCHEMBL786173 0.82 PDE5A (0.60) PDE5AAURKAGSK3BAURKBSRC
SCHEMBL785341 0.82 GSK3B (0.54) PDE5AAURKAGSK3BAURKBSRC
SCHEMBL786318 0.82 GSK3B (0.62) PDE5AAURKAGSK3BAURKBSRC
Toluene SCHEMBL27595350 0.82 APP (0.53) APPAURKAGSK3BAURKBSRC

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102250071-A Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA 2011-11-23 — — CN disclosed
EP-1702920-B1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2011-10-12 — — EP disclosed
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
CN-100436452-C Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORP (US) 2008-11-26 — — CN disclosed
CN-100408573-C Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2008-08-06 — — CN disclosed
CN-100406454-C Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2008-07-30 — — CN disclosed
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — 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
WO-2002068415-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-09-06 — — WO disclosed
WO-2002066461-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-29 — — WO disclosed
WO-2002062789-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-15 — — WO disclosed
WO-2002059111-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-01 — — WO disclosed
WO-2002057259-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-25 — — WO disclosed
WO-2002050065-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-27 — — 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 (5 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-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors AURKC, AURKA, GSKIP APP 484/4885PDE5A 4266/4885AURKA 2/4885
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, AURKC, AURKA APP 716/4885PDE5A 3447/4885AURKA 3/4885
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B APP 666/4885PDE5A 4253/4885AURKA 2/4885
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B APP 575/4885PDE5A 4195/4885AURKA 2/4885
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B APP 723/4885PDE5A 3588/4885AURKA 2/4885

“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.