Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073461

SCHEMBL10073461

SCHEMBL10073461

Cc1cc(C)c(CSCCNS(=O)(=O)c2n[nH]c3ncccc23)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RECQL P46063 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ SLC40A1 Q9NP59 1/20 0.35
▸ NR3C1 P04150 3/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PPARG P37231 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
SCHEMBL10073643 0.79 LMNA (0.56) L3MBTL1ALDH1A1MAPTHTTKMT2A
SCHEMBL10073655 0.77 ALDH1A1 (0.50) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10073645 0.73 P2RX7 (0.41) ALDH1A1SLC40A1NR3C1SMN1; SMN2HPGD
SCHEMBL10073466 0.72 ALDH1A1 (0.50) L3MBTL1ALDH1A1MAPTHTTMEN1
SCHEMBL10073458 0.72 TBXAS1 (0.39) L3MBTL1MEN1KMT2ASLC40A1SMN1; SMN2
SCHEMBL10072890 0.70 KMT2A (0.39) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10073161 0.69 LMNA (0.40) ALDH1A1HTTGAALMNACYP2C9
SCHEMBL10073455 0.69 KMT2A (0.40) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL10072887 0.68 KMT2A (0.42) MAPTKMT2AGAASMN1; SMN2
SCHEMBL12243418 0.68 GAA (0.43) ALDH1A1MAPTMEN1KMT2AGAA

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 7 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
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 L3MBTL1 3539/4885ALDH1A1 3237/4885MAPT 2437/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA L3MBTL1 3539/4885ALDH1A1 3237/4885MAPT 2437/4885

“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.