Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073468

SCHEMBL10073468

SCHEMBL10073468

CC1CCCN(S(=O)(=O)c2n[nH]c3ncccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ NAMPT P43490 2/20 0.46
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ RAC1 P63000 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41

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
SCHEMBL10072897 0.84 COMT (0.49) KMT2AALDH1A1TSHRLMNAKDM4E
SCHEMBL12243395 0.84 GRM4 (0.39) NAMPTTSHRJAK2JAK3
SCHEMBL10072905 0.83 KDM4E (0.50) KMT2ANAMPTALDH1A1TSHRLMNA
SCHEMBL10073640 0.81 ALOX15 (0.49) KMT2ANAMPTALDH1A1LMNAKDM4E
SCHEMBL10072940 0.81 COMT (0.39) NAMPTJAK2JAK3
SCHEMBL10072931 0.81 JAK2 (0.42) NAMPTJAK2
SCHEMBL10072909 0.80 CTSB (0.48) ALDH1A1TSHRLMNAKDM4EGAA
SCHEMBL10073457 0.79 ACHE (0.46) NAMPTPOLBALDH1A1LMNAGAA
SCHEMBL10073452 0.78 VNN1 (0.38) JAK2JAK3
SCHEMBL10073646 0.78 VNN1 (0.38) JAK2JAK3

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 KMT2A 649/4885NAMPT 962/4885POLB 1883/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA KMT2A 649/4885NAMPT 962/4885POLB 1883/4885

“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.