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SCHEMBL10073639

SCHEMBL10073639

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ NR3C1 P04150 5/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10073159 0.82 ALDH1A1 (0.35) METFTOAURKAPARP1NR3C1
SCHEMBL10073459 0.82 SMN1; SMN2 (0.36) NR3C1ALDH1A1KMT2AMEN1HTT
SCHEMBL10073162 0.81 NR3C1 (0.42) NR3C1ALDH1A1PKMHPGDGSK3B
SCHEMBL10073652 0.81 ALDH1A1 (0.33) FTONR3C1ALDH1A1GSK3AGSK3B
SCHEMBL10072921 0.79 CNR1 (0.39) NR3C1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10073849 0.78 NR3C1 (0.36) NR3C1ALDH1A1HTTHPGDGSK3A
SCHEMBL12243475 0.77 MET (0.39) METFTOAURKAPARP1KMT2A
SCHEMBL10072893 0.77 ALDH1A1 (0.41) METFTOAURKAPARP1ALDH1A1
SCHEMBL10072924 0.77 KAT2B (0.33) METALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL10072911 0.76 UTS2R (0.39) METNR3C1ALDH1A1KMT2AHTT

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 MET 2466/4885FTO 3301/4885AURKA 128/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA MET 2466/4885FTO 3301/4885AURKA 128/4885

“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.