SCHEMBL2861303

SCHEMBL2861303

O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 10/20 0.75
▸ POLB P06746 3/20 0.54
▸ AURKA O14965 2/20 0.51
▸ AURKB Q96GD4 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NTRK1 P04629 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HSD17B10 Q99714 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
SCHEMBL2588127 0.86 TTK (1.00) TTKAURKB
SCHEMBL2863645 0.85 TTK (0.56) TTKPOLBKDM4ESMN1; SMN2MEN1
SCHEMBL12281383 0.85 TTK (0.85) TTKAURKAAURKB
SCHEMBL2870906 0.85 TTK (0.72) TTKAURKAAURKBNTRK1
SCHEMBL2864566 0.85 TTK (0.55) TTKPOLBKDM4ESMN1; SMN2MEN1
SCHEMBL4148920 0.83 TTK (0.53) TTKPOLBKDM4ESMN1; SMN2MEN1
SCHEMBL2855841 0.82 TTK (0.52) TTKPOLBAURKAAURKBKDM4E
SCHEMBL2557544 0.80 TTK (0.63) TTKPOLBAURKAAURKBKDM4E
SCHEMBL27558704 0.79 TTK (0.56) TTKAURKAAURKBNTRK1
SCHEMBL12422530 0.77 TTK (0.59) TTKPOLBAURKAAURKBKDM4E

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
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-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
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-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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 — — US 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
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 — — CN disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 — — US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 — — US disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 — — CN disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 — — 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 (4 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TTK 1201/4885POLB 4277/4885AURKA 502/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TTK 1066/4885POLB 4431/4885AURKA 779/4885
US-20070248944-A1 Preventive and Remedy for Collagen or Elastin Metabolic Disorder COLGALT1, COL2A1, COL14A1 TTK 2334/4885POLB 1577/4885AURKA 4838/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TTK 1201/4885POLB 4277/4885AURKA 502/4885

“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.

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