SCHEMBL2861362

SCHEMBL2861362

O=C(Nc1ccc2[nH]nc(-c3ccc4c(c3)CCN4)c2c1)C1Cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.48
PDPK1 O15530 4/20 0.44
ITK Q08881 2/20 0.42
ULK1 O75385 3/20 0.41
MAPK1 P28482 1/20 0.41
TTK P33981 3/20 0.40
AURKA O14965 2/20 0.40
MAPK10 P53779 1/20 0.39

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
SCHEMBL2871104 0.82 TTK (0.48) ROCK1PDPK1ITKMAPK1TTK
SCHEMBL13198147 0.76 ULK1 (0.38) PDPK1ITKULK1TTKAURKA
SCHEMBL12282547 0.72 TTK (0.62) TTKAURKA
SCHEMBL12282356 0.72 TTK (0.62) TTKAURKA
SCHEMBL14863976 0.71 PDPK1 (0.55) ROCK1PDPK1ITKMAPK1MAPK10
SCHEMBL14873431 0.71 ROCK1 (0.52) ROCK1PDPK1MAPK1AURKA
SCHEMBL13198185 0.70 PDPK1 (0.52) ROCK1PDPK1ITKULK1TTK
SCHEMBL14863379 0.70 ROCK2 (0.51) ROCK1ITKTTK
SCHEMBL14863557 0.70 CRBN (0.52) ROCK1PDPK1ITKULK1
SCHEMBL14873395 0.69 PDPK1 (0.51) ROCK1PDPK1MAPK1

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 10 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
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-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-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 ROCK1 504/4885PDPK1 885/4885ITK 3726/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ROCK1 709/4885PDPK1 1320/4885ITK 3628/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ROCK1 504/4885PDPK1 885/4885ITK 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.