Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072917

SCHEMBL10072917

SCHEMBL10072917

O=S(=O)(NC(CO)CC1CCCCC1)c1n[nH]c2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 7/20 0.36
▸ F2 P00734 1/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ NEK1 Q96PY6 2/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL10072938 0.78 ALOX5AP (0.41) ALDH1A1LMNAMCOLN3
SCHEMBL10073848 0.77 KMT2A (0.35) LMNANEK1
SCHEMBL10073159 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10073652 0.74 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL10072923 0.73 NEK1 (0.59) NEK1
SCHEMBL10072941 0.71 MAPK1 (0.39) GRM4P2RX7CYP3A4
SCHEMBL10073639 0.70 MET (0.33) ALDH1A1LMNA
SCHEMBL10072891 0.70 DRD2 (0.42) —
SCHEMBL13473570 0.69 — —
SCHEMBL10073459 0.69 SMN1; SMN2 (0.36) ALDH1A1

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 GCK 896/4885F2 4691/4885GRM4 4040/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA GCK 896/4885F2 4691/4885GRM4 4040/4885

“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.