SCHEMBL10269652

SCHEMBL10269652

O=C(NCc1ccccc1)Nc1ccc2[nH]nc(-c3ccccc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.70
▸ ITK Q08881 1/20 0.67
▸ ROCK2 O75116 3/20 0.61
▸ ROCK1 Q13464 2/20 0.61
▸ MAPK1 P28482 2/20 0.60
▸ MAPK3 P27361 1/20 0.60
▸ AURKA O14965 2/20 0.60
▸ CA12 O43570 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ TTK P33981 4/20 0.56
▸ HAO1 Q9UJM8 1/20 0.55
▸ IMPDH2 P12268 1/20 0.53
▸ KDR P35968 1/20 0.53

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
SCHEMBL12281007 0.87 TTK (0.79) AURKATTK
SCHEMBL5381231 0.86 AURKA (0.59) NAMPTITKROCK2ROCK1MAPK1
SCHEMBL758975 0.86 ROCK2 (0.61) NAMPTITKROCK2ROCK1AURKA
SCHEMBL5800969 0.84 TTK (0.59) NAMPTITKROCK2ROCK1MAPK1
SCHEMBL14404250 0.84 ITK (0.60) NAMPTITKROCK2ROCK1MAPK1
SCHEMBL20379744 0.82 NAMPT (1.00) NAMPTROCK2ROCK1MAPK1MAPK3
SCHEMBL29882418 0.82 NAMPT (1.00) NAMPTROCK2ROCK1MAPK1MAPK3
SCHEMBL5387657 0.81 AURKA (0.54) NAMPTITKROCK2ROCK1MAPK1
SCHEMBL5387211 0.80 AURKA (0.53) NAMPTITKROCK2ROCK1MAPK1
SCHEMBL8260089 0.80 TTK (0.69) ITKAURKATTK

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 6 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-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — 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 NAMPT 257/4885ITK 1619/4885ROCK2 3219/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 NAMPT 257/4885ITK 1619/4885ROCK2 3219/4885

“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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