Sugi Predict

Sugi Predict / Compounds / SCHEMBL2206402

SCHEMBL2206402

SCHEMBL2206402

Cc1cc(Nc2cc(C)nc(Nc3ccccc3)n2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.57
▸ LMNA P02545 5/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ HTT P42858 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ GPR55 Q9Y2T6 1/20 0.57
▸ TAAR1 Q96RJ0 1/20 0.54
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ PLA2G1B P04054 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ OGG1 O15527 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ GAA P10253 1/20 0.49

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
SCHEMBL2204617 0.88 KDM4E (0.56) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL2204723 0.87 SYK (0.53) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL12340074 0.83 MAPT (0.71) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL2206867 0.83 MAPT (0.43) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL13827691 0.82 MAPT (0.65) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL12430951 0.81 AURKA (0.63) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL27732508 0.80 MAPT (0.46) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL2203893 0.80 MAPT (0.58) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL786224 0.79 ABCG2 (0.64) LMNAIGF1RMEN1KMT2AABCG2
SCHEMBL2204333 0.78 AURKA (0.45) MAPTLMNAHTTSMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100406454-C Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2008-07-30 — — CN claimed
EP-1345927-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP claimed
CN-1549812-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-11-24 — — CN claimed
US-20040214814-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 — — US claimed
CN-102250071-A Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA 2011-11-23 — — CN 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
US-20030105090-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-06-05 — — US 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-2002066461-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-29 — — 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 (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 MAPT 163/4885LMNA 2547/4885KDM4E 1044/4885
US-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors AURKC, AURKA, GSKIP MAPT 269/4885LMNA 2121/4885KDM4E 1192/4885
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, AURKC, AURKA MAPT 198/4885LMNA 3350/4885KDM4E 818/4885
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MAPT 227/4885LMNA 2132/4885KDM4E 1296/4885
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MAPT 261/4885LMNA 2793/4885KDM4E 1294/4885
US-20030105090-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, GSK3B, AURKA MAPT 297/4885LMNA 1885/4885KDM4E 1026/4885
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MAPT 187/4885LMNA 3134/4885KDM4E 1064/4885

“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.