Sugi Predict

Sugi Predict / Compounds / SCHEMBL4680745

SCHEMBL4680745

SCHEMBL4680745

Cc1onc(-c2ccccc2)c1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.69
▸ MAPK8 P45983 1/20 0.59
▸ GSK3B P49841 7/20 0.57
▸ CDK2 P24941 3/20 0.54
▸ ABL1 P00519 1/20 0.53
▸ EGFR P00533 1/20 0.53
▸ PRKCA P17252 1/20 0.53
▸ PRKCD Q05655 1/20 0.53
▸ PTGS1 P23219 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ CDK4 P11802 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ JAK2 O60674 2/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ CAMK2D Q13557 1/20 0.47

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
SCHEMBL8257347 0.85 MAPK14 (0.52) MAPK14MAPK8GSK3BCDK2ABL1
SCHEMBL11924782 0.84 MAPK14 (0.62) MAPK14MAPK8GSK3BCDK2ABL1
SCHEMBL5144495 0.82 MAPK14 (1.00) MAPK14MAPK8CDK2PTGS1PTGS2
SCHEMBL14591600 0.81 MAPK14 (0.64) MAPK14MAPK8PTGS1PTGS2TDP1
SCHEMBL23662257 0.81 BRD4 (0.55) MAPK14MAPK8GSK3BCDK2ABL1
SCHEMBL14591569 0.80 GSK3B (0.55) MAPK14MAPK8GSK3BCDK2ABL1
SCHEMBL8247981 0.80 MAPK14 (0.57) MAPK14MAPK8GSK3BCDK2PTGS1
SCHEMBL3947487 0.79 MAPK14 (0.65) MAPK14MAPK8PTGS1PTGS2TDP1
SCHEMBL11924783 0.79 MAPK14 (0.56) MAPK14MAPK8GSK3BCDK2ABL1
SCHEMBL23662204 0.79 PIK3CG (0.55) MAPK14MAPK8GSK3BABL1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 — — US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 — — US disclosed
US-7750033-B2 Preventive and remedy for collagen or elastin metabolic disorder YAMAGUCHI UNIVERSITY (JP) 2010-07-06 — — US disclosed
US-7750033-B2 Preventive and remedy for collagen or elastin metabolic disorder YAMAGUCHI UNIVERSITY (JP) 2010-07-06 — — US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 — — EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 — — US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 — — US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 — — US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 — — US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 — — US disclosed
EP-1218369-B1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-07-23 — — EP disclosed
US-20070248944-A1 Preventive and Remedy for Collagen or Elastin Metabolic Disorder YAMAGUCHI UNIVERSITY (JP) 2007-10-25 — — US disclosed
US-20070248944-A1 Preventive and Remedy for Collagen or Elastin Metabolic Disorder YAMAGUCHI UNIVERSITY (JP) 2007-10-25 — — US disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 — — US disclosed
EP-1218369-A4 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2005-06-22 — — EP disclosed
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases GREEN JEREMY (US) 2005-02-03 — — US disclosed
US-6693108-B2 PYRIMIDINYL-GUANIDINE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED 2004-02-17 — — US disclosed
US-20030149051-A1 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTX PHARMACEUTICALS INCORPORATED 2003-08-07 — — US disclosed
EP-1218369-A1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-03 — — EP disclosed
WO-2001012621-A1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-02-22 — — 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-20030149051-A1 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases MAPK1, PACSIN2, MAP3K1 MAPK14 48/4885MAPK8 132/4885GSK3B 138/4885
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases MAP3K2, CSNK1G2, MAP3K5 MAPK14 43/4885MAPK8 115/4885GSK3B 243/4885
US-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK14 4/4885MAPK8 10/4885GSK3B 991/4885
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B MAPK14 70/4885MAPK8 40/4885GSK3B 418/4885
US-20070248944-A1 Preventive and Remedy for Collagen or Elastin Metabolic Disorder COLGALT1, COL2A1, COL14A1 MAPK14 16/4885MAPK8 39/4885GSK3B 1603/4885

“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.