Sugi Predict

Sugi Predict / Compounds / SCHEMBL10074043

SCHEMBL10074043

SCHEMBL10074043

O=S(=O)(NCc1ccc(Oc2ccc(F)cc2)cc1)c1n[nH]c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NSD2 O96028 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPK14 Q16539 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ SGMS1 Q86VZ5 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38

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
SCHEMBL10073647 0.79 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4KDM4ECYP2D6
SCHEMBL10073644 0.78 ALDH1A1 (0.44) ALDH1A1NSD2LMNA
SCHEMBL13473572 0.76 ALDH1A1 (0.42) ALDH1A1HPGDCYP3A4KDM4ECYP2D6
SCHEMBL12243435 0.76 NAMPT (0.49) MAPK14NAMPT
SCHEMBL10072937 0.75 KDM4E (0.37) ALDH1A1HPGDCYP3A4KDM4ECYP2D6
SCHEMBL10073466 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4LMNA
SCHEMBL10047436 0.74 KDM4E (0.46) KDM4ELMNANAMPTRPS6KB1
SCHEMBL10073648 0.74 ALDH1A1 (0.42) ALDH1A1HPGDCYP3A4KDM4ECYP2D6
SCHEMBL10073458 0.74 TBXAS1 (0.39) SGMS1
SCHEMBL10073840 0.74 ROCK2 (0.48) LMNAPARP1NAMPTRPS6KB1CDC7

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 3237/4885HPGD 1752/4885CYP3A4 2515/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALDH1A1 3237/4885HPGD 1752/4885CYP3A4 2515/4885

“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.