Sugi Predict

Sugi Predict / Compounds / SCHEMBL786265

SCHEMBL786265

SCHEMBL786265

Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)[nH]n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.68
▸ AURKA O14965 2/20 0.68
▸ SRC P12931 2/20 0.68
▸ KDM4E B2RXH2 4/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ POLB P06746 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ PDE5A O76074 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ TGFBR1 P36897 1/20 0.57
▸ MAPK14 Q16539 1/20 0.57
▸ GSK3A P49840 4/20 0.57
▸ EIF2AK2 P19525 1/20 0.57
▸ AURKB Q96GD4 1/20 0.57
▸ LMNA P02545 3/20 0.56
▸ ABCG2 Q9UNQ0 4/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ABCC1 P33527 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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 0.93 GSK3B (0.65) GSK3BAURKASRCPDE5ASMN1; SMN2
SCHEMBL786318 0.90 GSK3B (0.62) GSK3BAURKASRCPDE5ASMN1; SMN2
SCHEMBL786548 0.88 LATS1 (0.58) GSK3BAURKASRCPDE5ATGFBR1
SCHEMBL786173 0.88 PDE5A (0.60) GSK3BAURKASRCPOLBPDE5A
SCHEMBL786397 0.87 MAPK1 (0.64) KDM4EALDH1A1POLBHPGDPDE5A
SCHEMBL12653900 0.87 GSK3B (0.56) GSK3BAURKASRCPDE5ASMN1; SMN2
SCHEMBL786621 0.87 CYP1A1 (0.60) GSK3BAURKASRCPDE5ASMN1; SMN2
SCHEMBL12653753 0.87 GSK3B (0.56) GSK3BAURKASRCPDE5ASMN1; SMN2
SCHEMBL786191 0.87 ABCG2 (0.58) GSK3BAURKASRCPDE5ASMN1; SMN2
SCHEMBL786160 0.86 GSK3B (0.62) GSK3BAURKASRCKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666647-B2 Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-23 — — US claimed
EP-2082743-A2 Inhibitors of GSK-3 and crystal structures of GSK-3beta protein and protein complexes Vertex Pharmaceuticals Incorporated (US) 2009-07-29 — — EP claimed
US-20080262205-A1 Inhibitors of GSK-3 and crystal structures of GSK-3beta protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 — — US claimed
EP-1435957-A4 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2005-04-13 — — EP claimed
EP-1435957-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES Vertex Pharmaceuticals Incorporated (US) 2004-07-14 — — EP claimed
US-20030125332-A1 Inhibitors of GSK-3 and crystal structures of GSK-3 protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED 2003-07-03 — — US claimed
WO-2002088078-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 — — WO claimed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8318467-B2 Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-20110129896-A1 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3Beta PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-02 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 — — US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 — — US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — US disclosed
WO-2002088078-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 — — 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 (9 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A GSK3B 4/4885AURKA 2/4885SRC 305/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 GSK3B 461/4885AURKA 191/4885SRC 234/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GSK3B 3/4885AURKA 2/4885SRC 256/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3B 1/4885AURKA 8/4885SRC 208/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GSK3B 3/4885AURKA 2/4885SRC 294/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GSK3B 3/4885AURKA 2/4885SRC 427/4885
US-20030125332-A1 Inhibitors of GSK-3 and crystal structures of GSK-3 protein and protein complexes GSK3B, GSK3A, GSKIP GSK3B 1/4885AURKA 828/4885SRC 280/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885AURKA 255/4885SRC 423/4885
US-20080262205-A1 Inhibitors of GSK-3 and crystal structures of GSK-3beta protein and protein complexes GSK3B, GSK3A, GSKIP GSK3B 1/4885AURKA 1243/4885SRC 426/4885

“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.