Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072926

SCHEMBL10072926

SCHEMBL10072926

O=S(=O)(c1n[nH]c2ncccc12)N1CCC(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HTR1A P08908 1/20 0.40

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
SCHEMBL10072940 0.81 COMT (0.39) JAK2JAK1JAK3COMT
SCHEMBL10072891 0.79 DRD2 (0.42) TSHRMAPK1MAPTDRD2HTR1A
SCHEMBL12243395 0.79 GRM4 (0.39) JAK2JAK1JAK3TSHRCOMT
SCHEMBL10072931 0.78 JAK2 (0.42) JAK2JAK1HTR6
SCHEMBL10073468 0.77 KMT2A (0.48) ALDH1A1JAK2JAK3TSHRSMN1; SMN2
SCHEMBL10072897 0.76 COMT (0.49) ALDH1A1TSHRSMN1; SMN2HTTMEN1
SCHEMBL10073646 0.76 VNN1 (0.38) JAK2JAK3MMP2MMP13
SCHEMBL10073452 0.76 VNN1 (0.38) JAK2JAK3MMP2MMP13
SCHEMBL10072929 0.76 KDM4E (0.48) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL10072903 0.76 ROCK2 (0.41) JAK2JAK1JAK3TSHRMAPT

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 ACLY 3531/4885ALDH1A1 3237/4885JAK2 137/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ACLY 3531/4885ALDH1A1 3237/4885JAK2 137/4885

“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.