Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073842

SCHEMBL10073842

SCHEMBL10073842

CC[C@H](COCc1ccccc1)NS(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.39
▸ CNR1 P21554 1/20 0.37
▸ SLC40A1 Q9NP59 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ UGCG Q16739 1/20 0.33
▸ NEK1 Q96PY6 2/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ KMT2A Q03164 1/20 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
SCHEMBL10073159 0.84 ALDH1A1 (0.35) KDM4EALDH1A1POLBMAPTHTT
SCHEMBL10073849 0.74 NR3C1 (0.36) SLC40A1KDM4EALDH1A1POLBMAPT
SCHEMBL10073162 0.74 NR3C1 (0.42) KDM4EALDH1A1POLB
SCHEMBL10072912 0.73 NR3C1 (0.46) —
SCHEMBL15473369 0.72 TDP1 (0.49) TDP1CNR1NPC1TSHRRAB9A
SCHEMBL10073639 0.71 MET (0.33) TDP1SLC40A1L3MBTL1ALDH1A1LMNA
SCHEMBL10073459 0.70 SMN1; SMN2 (0.36) ALDH1A1HTTSMN1; SMN2KMT2ACA2
SCHEMBL10072911 0.70 UTS2R (0.39) KDM4EALDH1A1MAPTTSHRHTT
SCHEMBL10072921 0.70 CNR1 (0.39) CNR1KDM4EALDH1A1POLBMAPT
SCHEMBL10073848 0.69 KMT2A (0.35) SLC40A1KDM4ELMNAMAPTTSHR

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 TDP1 847/4885CNR1 3569/4885SLC40A1 4627/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA TDP1 847/4885CNR1 3569/4885SLC40A1 4627/4885

“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.