Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072901

SCHEMBL10072901

SCHEMBL10072901

NC(=O)[C@@H]1CCCN1S(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.44
▸ PLAU P00749 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ VNN1 O95497 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ELANE P08246 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37

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
SCHEMBL10073640 0.83 ALOX15 (0.49) KMT2AALDH1A1HTTLMNASMN1; SMN2
SCHEMBL10072932 0.81 NAMPT (0.47) TSHRRECQLKMT2AGAAALDH1A1
SCHEMBL10072922 0.80 ALOX15 (0.54) KMT2AALDH1A1HTTLMNASMN1; SMN2
SCHEMBL10073467 0.79 CYP3A4 (0.57) TSHRKMT2AALDH1A1POLBHTT
SCHEMBL10072913 0.79 COMT (0.42) CASP7
SCHEMBL10074046 0.78 NAMPT (0.49) CASP7
SCHEMBL10072892 0.76 CYP3A4 (0.62) TSHRKMT2AALDH1A1POLBHTT
SCHEMBL10072897 0.76 COMT (0.49) TSHRKMT2AALDH1A1HTTLMNA
SCHEMBL10072905 0.74 KDM4E (0.50) TSHRKMT2AALDH1A1HTTLMNA
SCHEMBL10073468 0.74 KMT2A (0.48) TSHRKMT2AGAAALDH1A1POLB

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 PIM1 476/4885PLAU 3853/4885TSHR 4008/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA PIM1 476/4885PLAU 3853/4885TSHR 4008/4885

“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.