SCHEMBL2863889

SCHEMBL2863889

CC(C)(C)c1ccc(-c2n[nH]c3ccc(NC(=O)C4(c5ccccc5)CC4)cc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.64
▸ THRB P10828 1/20 0.49
▸ LRRK2 Q5S007 6/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ MAP2K4 P45985 1/20 0.44
▸ MAPKAPK3 Q16644 1/20 0.44
▸ MAPK6 Q16659 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ ITK Q08881 3/20 0.43
▸ AURKA O14965 2/20 0.43
▸ NR2E3 Q9Y5X4 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2862915 0.86 TTK (0.68) TTKLRRK2PDPK1HDAC1AURKA
SCHEMBL2570957 0.78 TTK (1.00) TTK
SCHEMBL4379912 0.76 TTK (0.56) TTKTHRBPDPK1HDAC1AURKA
SCHEMBL12281457 0.73 TTK (0.90) TTK
SCHEMBL12282790 0.73 TTK (0.88) TTK
SCHEMBL2567732 0.72 TTK (0.76) TTKAURKA
SCHEMBL8260089 0.72 TTK (0.69) TTKLRRK2ITKAURKAJAK2
SCHEMBL12741328 0.72 CFTR (0.57) TTKTHRBHDAC1NR2E3LMNA
Trifluoroacetic Acid SCHEMBL2572640 0.72 TTK (0.81) TTKAURKA
SCHEMBL8251866 0.71 JAK2 (0.74) LRRK2PDPK1ITKAURKAJAK2

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 13 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
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 TTK 1201/4885THRB 1655/4885LRRK2 282/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TTK 1066/4885THRB 1729/4885LRRK2 817/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TTK 1201/4885THRB 1655/4885LRRK2 282/4885

“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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