SCHEMBL758975

SCHEMBL758975

O=C(NCc1ccccc1)Nc1ccc2[nH]nc(I)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.61
▸ ROCK1 Q13464 4/20 0.61
▸ ITK Q08881 1/20 0.59
▸ CA12 O43570 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ HAO1 Q9UJM8 1/20 0.55
▸ NAMPT P43490 3/20 0.55
▸ IMPDH2 P12268 1/20 0.50
▸ GSK3B P49841 1/20 0.49
▸ AURKA O14965 2/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ RPS6KA5 O75582 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47
▸ PRKX P51817 1/20 0.47
▸ PRKG2 Q13237 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ SGK2 Q9HBY8 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ JAK2 O60674 1/20 0.47

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
SCHEMBL10269652 0.86 NAMPT (0.70) ROCK2ROCK1ITKCA12CA9
SCHEMBL14404250 0.84 ITK (0.60) ROCK2ROCK1ITKCA12CA9
SCHEMBL4795575 0.83 ROCK2 (0.57) ROCK2ROCK1ITKCA12CA9
SCHEMBL2561547 0.81 MAPK1 (0.69) ITKIMPDH2KDRJAK2JAK1
SCHEMBL14863599 0.79 JAK2 (0.51) ITKHAO1AURKAJAK2JAK1
SCHEMBL17117402 0.79 CA12 (0.69) ROCK2ROCK1ITKCA12CA9
SCHEMBL12281007 0.76 TTK (0.79) AURKA
SCHEMBL20772904 0.76 CA12 (0.62) ROCK2ROCK1CA12CA9NAMPT
SCHEMBL4130093 0.76 AURKA (0.54) ROCK2ROCK1ITKCA12CA9
SCHEMBL2557897 0.76 TTK (0.60) ITKKDRJAK2JAK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 — — US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 — — US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
CN-101437519-A Indazole compounds ABBOTT LAB (US) 2009-05-20 — — CN disclosed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 — — EP disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — US disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 — — WO 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 (2 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 ROCK2 3219/4885ROCK1 2438/4885ITK 1619/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 ROCK2 3219/4885ROCK1 2438/4885ITK 1619/4885

“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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