SCHEMBL2870463

SCHEMBL2870463

Nc1nccc(-c2n[nH]c3ccccc23)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.59
CDK5 Q00535 3/20 0.56
CDK5R1 Q15078 3/20 0.56
GSK3B P49841 2/20 0.56
CLK1 P49759 1/20 0.56
DYRK1A Q13627 1/20 0.56
MAP3K14 Q99558 1/20 0.56
TTBK1 Q5TCY1 1/20 0.54
PIKFYVE Q9Y2I7 1/20 0.54
MAPK9 P45984 3/20 0.52
MAPK10 P53779 2/20 0.52
MAPK8 P45983 2/20 0.52
AURKA O14965 3/20 0.51
PDPK1 O15530 3/20 0.51
CDK2 P24941 2/20 0.51
ROCK1 Q13464 2/20 0.51
CHUK O15111 1/20 0.51
RPS6KB1 P23443 1/20 0.51
KDR P35968 1/20 0.51
TGFBR1 P36897 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
SCHEMBL19100673 0.81 LRRK2 (0.59) LRRK2MAPK9MAPK10MAPK8AURKA
SCHEMBL5096658 0.78 LRRK2 (0.55) LRRK2MAPK9MAPK10MAPK8AURKA
SCHEMBL31084688 0.78 LRRK2 (0.55) LRRK2MAPK9MAPK10MAPK8AURKA
Annomontine SCHEMBL2994062 0.76 TDO2 (0.61) CDK5CDK5R1GSK3BCLK1DYRK1A
SCHEMBL30316298 0.75 LRRK2 (1.00) LRRK2MAPK10AURKAPDPK1KDM4E
SCHEMBL1328336 0.75 LRRK2 (1.00) LRRK2MAPK10AURKAPDPK1KDM4E
SCHEMBL20267512 0.74 LRRK2 (0.68) LRRK2MAPK9MAPK10MAPK8AURKA
SCHEMBL30116867 0.74 LRRK2 (0.68) LRRK2MAPK9MAPK10MAPK8AURKA
SCHEMBL1807830 0.73 ALDH1A1 (0.55) LRRK2MAPK10AURKAPDPK1KDM4E
SCHEMBL1672674 0.73 IDO1 (0.78) LRRK2MAPK10AURKAPDPK1KDM4E

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 15 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
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-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
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 LRRK2 282/4885CDK5 52/4885CDK5R1 37/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 LRRK2 817/4885CDK5 144/4885CDK5R1 140/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 LRRK2 282/4885CDK5 52/4885CDK5R1 37/4885

“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.