Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072921

SCHEMBL10072921

SCHEMBL10072921

CC(NS(=O)(=O)c1n[nH]c2ncccc12)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.39
▸ NR3C1 P04150 3/20 0.39
▸ PGR P06401 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ GRIA4 P48058 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ APAF1 O14727 1/20 0.36

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
SCHEMBL10073639 0.79 MET (0.33) NR3C1SMN1; SMN2MEN1KMT2AGSK3A
SCHEMBL10072924 0.77 KAT2B (0.33) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10072898 0.75 ALOX5AP (0.40) ALOX5APFEN1
SCHEMBL12243439 0.75 ALOX5AP (0.40) ALOX5APFEN1
SCHEMBL10072894 0.75 AOC3 (0.36) CNR1KMT2APOLBALDH1A1KDM4E
SCHEMBL10073159 0.75 ALDH1A1 (0.35) NR3C1PGRGSK3AGSK3BPOLB
SCHEMBL10073459 0.75 SMN1; SMN2 (0.36) NR3C1SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL10073162 0.74 NR3C1 (0.42) NR3C1CYP2C9CYP1A2CYP2C19GSK3B
SCHEMBL10073652 0.74 ALDH1A1 (0.33) NR3C1CYP3A4CYP2C19GSK3AGSK3B
SCHEMBL10073163 0.73 MEN1 (0.40) SMN1; SMN2MEN1KMT2APOLBALDH1A1

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 CNR1 3569/4885NR3C1 1508/4885PGR 2819/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA CNR1 3569/4885NR3C1 1508/4885PGR 2819/4885

“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.