Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073642

SCHEMBL10073642

SCHEMBL10073642

O=S(=O)(NCCSc1cc(C(F)(F)F)nc2ccccc12)c1n[nH]c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.63
▸ ALDH1A1 P00352 6/20 0.36
▸ PKM P14618 3/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC40A1 Q9NP59 2/20 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
SCHEMBL13633918 0.76 MAPT (0.71) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL10073466 0.74 ALDH1A1 (0.50) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL7693307 0.74 MAPT (0.68) MAPTPKMKMT2AMEN1IGF1R
SCHEMBL10073655 0.73 ALDH1A1 (0.50) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL13940133 0.72 MAPT (0.72) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL10133723 0.72 MAPT (0.68) MAPTKMT2AMEN1IGF1RTLR7
SCHEMBL10073460 0.70 TBXA2R (0.44) ALDH1A1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL10073161 0.69 LMNA (0.40) ALDH1A1GAALMNASMN1; SMN2CYP2C9
SCHEMBL9999685 0.69 MAPT (0.64) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL13565631 0.69 MAPT (0.67) MAPTKMT2AIGF1RTLR7GAA

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 MAPT 2437/4885ALDH1A1 3237/4885PKM 685/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA MAPT 2437/4885ALDH1A1 3237/4885PKM 685/4885

“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.