SCHEMBL2861637

SCHEMBL2861637

O=C(Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.59
AURKA O14965 1/20 0.56
NTRK1 P04629 1/20 0.55
LRRK2 Q5S007 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.52
DYRK3 O43781 1/20 0.52
ROCK2 O75116 1/20 0.52
MAP4K4 O95819 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CLK2 P49760 1/20 0.52
RAB9A P51151 1/20 0.52
CSNK2A1 P68400 1/20 0.52
ROCK1 Q13464 1/20 0.52
DYRK1A Q13627 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
KCNK3 O14649 1/20 0.51
CDK7 P50613 1/20 0.51
CSNK1D P48730 1/20 0.51

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
SCHEMBL29172484 0.92 PDPK1 (0.64) PDPK1AURKANTRK1LRRK2NPC1
SCHEMBL30725844 0.92 PDPK1 (0.64) PDPK1AURKANTRK1LRRK2NPC1
SCHEMBL5394136 0.89 LRRK2 (0.57) PDPK1AURKALRRK2L3MBTL1NPC1
SCHEMBL13198198 0.88 AURKA (0.57) AURKALRRK2NPC1RAB9AKCNK3
SCHEMBL29172502 0.85 DYRK1A (0.61) AURKANTRK1LRRK2NPC1CLK2
SCHEMBL30725858 0.85 DYRK1A (0.61) AURKANTRK1LRRK2NPC1CLK2
SCHEMBL12282712 0.84 TTK (0.70)
SCHEMBL29172495 0.84 CDK7 (0.67) AURKANTRK1LRRK2CLK2DYRK1A
SCHEMBL30725877 0.84 CDK7 (0.67) AURKANTRK1LRRK2CLK2DYRK1A
SCHEMBL5373102 0.82 PIM1 (0.59) AURKACLK2DYRK1AKCNK3CDK7

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 16 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
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
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
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (3 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 PDPK1 885/4885AURKA 502/4885NTRK1 1241/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 PDPK1 1320/4885AURKA 779/4885NTRK1 1387/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 PDPK1 885/4885AURKA 502/4885NTRK1 1241/4885

“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.