SCHEMBL10213601

SCHEMBL10213601

Nc1nccc(Nc2cc(Br)c3[nH]ncc3c2)n1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 7/20 0.73
▸ ROCK1 Q13464 11/20 0.49
▸ BCL6 P41182 1/20 0.49
▸ CDC7 O00311 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ KDR P35968 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
SCHEMBL10268605 0.85 MAPKAPK2 (0.74) MAPKAPK2ROCK1BCL6CDC7CA12
SCHEMBL10268662 0.84 MAPKAPK2 (0.73) MAPKAPK2ROCK1BCL6CDC7CA12
SCHEMBL10269120 0.84 MAPKAPK2 (1.00) MAPKAPK2ROCK1BCL6CDC7CA12
SCHEMBL10213604 0.82 MAPKAPK2 (0.70) MAPKAPK2ROCK1BCL6CDC7CA12
SCHEMBL10269747 0.81 MAPKAPK2 (0.68) MAPKAPK2ROCK1BCL6CDC7CA12
SCHEMBL10269244 0.81 MAPKAPK2 (0.73) MAPKAPK2ROCK1BCL6CDC7HTR3E
SCHEMBL10269116 0.80 MAPKAPK2 (0.76) MAPKAPK2ROCK1BCL6CDC7CA12
SCHEMBL10269171 0.80 MAPKAPK2 (0.80) MAPKAPK2ROCK1BCL6CDC7HTR3E
SCHEMBL10269379 0.79 MAPKAPK2 (0.71) MAPKAPK2ROCK1BCL6CDC7CA12
SCHEMBL10269745 0.79 MAPKAPK2 (0.65) MAPKAPK2ROCK1BCL6CDC7CA12

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-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-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 MAPKAPK2 1905/4885ROCK1 2438/4885BCL6 2802/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 MAPKAPK2 1905/4885ROCK1 2438/4885BCL6 2802/4885

“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.

Send feedback