Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072924

SCHEMBL10072924

SCHEMBL10072924

C[C@H](NS(=O)(=O)c1n[nH]c2ncccc12)C(F)C(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 5/20 0.33
▸ KAT2A Q92830 1/20 0.33
▸ MET P08581 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ FFAR2 O15552 1/20 0.31
▸ SLC40A1 Q9NP59 4/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CDC7 O00311 2/20 0.31
▸ CCNE1 P24864 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ DBF4 Q9UBU7 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31

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
SCHEMBL10072898 0.78 ALOX5AP (0.40) METSLC40A1
SCHEMBL12243439 0.78 ALOX5AP (0.40) METSLC40A1
SCHEMBL10072921 0.77 CNR1 (0.39) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10073639 0.77 MET (0.33) METSMN1; SMN2SLC40A1ALDH1A1LMNA
SCHEMBL10072894 0.76 AOC3 (0.36) METALDH1A1LMNACDC7CCNE1
SCHEMBL10073159 0.73 ALDH1A1 (0.35) METALDH1A1HTTKDM4E
SCHEMBL10073459 0.73 SMN1; SMN2 (0.36) KAT2BSMN1; SMN2ALDH1A1HTT
SCHEMBL10073652 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10073849 0.72 NR3C1 (0.36) SLC40A1ALDH1A1HTTKDM4E
SCHEMBL10073161 0.72 LMNA (0.40) METSMN1; SMN2ALDH1A1LMNAHTT

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 KAT2B 1477/4885KAT2A 1032/4885MET 2466/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA KAT2B 1477/4885KAT2A 1032/4885MET 2466/4885

“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.