SCHEMBL2867673

SCHEMBL2867673

CC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)[C@H](N)C4CCCCC4)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.53
AURKA O14965 3/20 0.48
MAP2K4 P45985 1/20 0.47
PLK4 O00444 3/20 0.45
CHEK2 O96017 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
AURKB Q96GD4 3/20 0.45
ITK Q08881 2/20 0.45
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2E1 P05181 2/20 0.45
CYP2C8 P10632 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2A6 P11509 2/20 0.45
CYP4B1 P13584 2/20 0.45
CYP2B6 P20813 2/20 0.45
CYP3A5 P20815 2/20 0.45
CYP2A7 P20853 2/20 0.45
CYP3A7 P24462 2/20 0.45

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
SCHEMBL2872522 0.78 AURKA (0.62) TTKAURKAMAP2K4ITKLRRK2
SCHEMBL13198198 0.76 AURKA (0.57) TTKAURKAITKLRRK2
SCHEMBL12281691 0.75 TTK (0.69) TTKAURKAPLK4CHEK2CYP3A4
SCHEMBL2582318 0.74 TTK (0.68) TTKAURKAPLK4CHEK2CYP3A4
SCHEMBL12281934 0.74 TTK (0.70) TTKAURKAPLK4CHEK2CYP3A4
SCHEMBL2871104 0.74 TTK (0.48) TTKAURKAMAP2K4ITKMAPK8
SCHEMBL2868589 0.71 MAP2K4 (0.69) TTKAURKAMAP2K4ITKMAPK8
SCHEMBL5374305 0.71 MAP2K4 (0.46) TTKAURKAMAP2K4AURKBMAPK8
SCHEMBL2866811 0.71 MAP2K4 (0.55) TTKAURKAMAP2K4LRRK2MAPK8
SCHEMBL2865036 0.71 PDPK1 (0.65) TTKAURKAITKMAPK8

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 17 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
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 TTK 1201/4885AURKA 502/4885MAP2K4 61/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TTK 1066/4885AURKA 779/4885MAP2K4 53/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TTK 1201/4885AURKA 502/4885MAP2K4 61/4885

“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.