SCHEMBL10073655

SCHEMBL10073655

CC(C)(C)SCCNS(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 4/20 0.40
POLB P06746 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PPARG P37231 1/20 0.40
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
MAP3K5 Q99683 1/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL10073466 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAALMNAPPARG
SCHEMBL10073461 0.77 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2GAALMNAHPGD
SCHEMBL10072893 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL10074044 0.77 LMNA (0.42) ALDH1A1NPSR1SMN1; SMN2KDM4EGAA
SCHEMBL10073647 0.75 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL10073161 0.75 LMNA (0.40) ALDH1A1NPSR1SMN1; SMN2KDM4EGAA
SCHEMBL10073455 0.74 KMT2A (0.40) ALDH1A1NPSR1SMN1; SMN2KDM4ELMNA
SCHEMBL10072910 0.74 ALOX5AP (0.36) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL10073160 0.74 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL10072890 0.74 KMT2A (0.39) ALDH1A1NPSR1SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445681-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-21 US disclosed
EP-2514751-A1 Azaindazoles useful as inhibitor of kinases Vertex Pharmaceuticals, Inc. (US) 2012-10-24 EP disclosed
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007059219-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 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-20070179177-A1 Azaindazoles useful as inhibitors of kinases PRKDC, MAP3K20, PRKACA ALDH1A1 3237/4885NPSR1 4485/4885SMN1; SMN2 2765/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALDH1A1 3237/4885NPSR1 4485/4885SMN1; SMN2 2765/4885

“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.