SCHEMBL2862936

SCHEMBL2862936

N[C@H](COCc1ccccc1)C(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
TTK P33981 6/20 0.42
ITK Q08881 4/20 0.40
AURKA O14965 1/20 0.39
LRRK2 Q5S007 2/20 0.38
CDK2 P24941 2/20 0.37
CDK7 P50613 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PDPK1 O15530 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HAO1 Q9UJM8 1/20 0.37

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
SCHEMBL13207534 0.81 TTK (0.47) TTKITKAURKALRRK2JAK2
SCHEMBL2857635 0.80 ITK (0.46) TTKITKAURKALRRK2JAK2
SCHEMBL2867307 0.80 MKNK1 (0.48) KDRTTKITKAURKALRRK2
SCHEMBL2868870 0.76 ITK (0.59) ITKLRRK2MEN1KMT2ASMN1; SMN2
SCHEMBL2860187 0.75 MKNK1 (0.53) KDRTTKITKAURKACDK2
SCHEMBL2870967 0.72 TTK (0.47) KDRTTKITKAURKACDK2
SCHEMBL2867364 0.72 LRRK2 (0.53) ITKLRRK2JAK2JAK1PDPK1
SCHEMBL5381355 0.71 ITK (0.47) KDRTTKITKJAK2MEN1
SCHEMBL2872714 0.71 ITK (0.48) KDRITKMEN1KMT2ASMN1; SMN2
SCHEMBL2861387 0.70 ULK1 (0.59) ITKPDPK1

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 12 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-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

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 KDR 2411/4885TTK 1201/4885ITK 3726/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 KDR 3273/4885TTK 1066/4885ITK 3628/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KDR 2411/4885TTK 1201/4885ITK 3726/4885

“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.