SCHEMBL14699201

SCHEMBL14699201

Nc1cnn(Cc2noc3ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.54
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 4/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
MAOB P27338 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ACHE P22303 3/20 0.41

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
SCHEMBL9689580 0.74 CYP19A1 (0.50) KLKB1LMNACA12CA1CA2
SCHEMBL950986 0.70 MAPT (0.67) KLKB1MAPTL3MBTL1ALDH1A1PKM
SCHEMBL2372821 0.69 LMNA (0.62) MAPTALDH1A1LMNACA12CA1
SCHEMBL3606843 0.69 MAPT (0.63) KLKB1MAPTL3MBTL1ALDH1A1PKM
Hydrochloric Acid SCHEMBL17822246 0.68 MAPT (0.70) KLKB1MAPTL3MBTL1ALDH1A1PKM
SCHEMBL30474877 0.67 ACHE (0.56) MAPTALDH1A1LMNACA12CA1
SCHEMBL16163411 0.67 NOTUM (0.50) MAPTL3MBTL1ALDH1A1PKMLMNA
SCHEMBL31061939 0.66 LMNA (0.59) MAPTALDH1A1LMNACA12CA1
SCHEMBL12767421 0.66 LMNA (0.59) MAPTALDH1A1LMNACA12CA1
SCHEMBL14699199 0.66 LMNA (0.44) KLKB1MAPTALDH1A1LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742040-B1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-10-16 US disclosed
EP-2742040-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-18 EP disclosed
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 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 (1 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-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CYP3A43, INSR, CYP2C19 KLKB1 3017/4885MAPT 2487/4885L3MBTL1 3048/4885

“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.