Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072907

SCHEMBL10072907

SCHEMBL10072907

O=S(=O)(NCc1ccc(-c2csnn2)cc1)c1n[nH]c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PTPN1 P18031 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ AKT1 P31749 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ENPP1 P22413 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MPO P05164 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL10073647 0.76 ALDH1A1 (0.47) MAPTKDM4EPOLBALDH1A1CNR1
SCHEMBL10074043 0.74 ALDH1A1 (0.48) KDM4EALDH1A1HPGD
SCHEMBL13473572 0.74 ALDH1A1 (0.42) KDM4EKMT2APOLBALDH1A1CNR1
SCHEMBL10072937 0.73 KDM4E (0.37) KDM4EKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10073644 0.71 ALDH1A1 (0.44) PKMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10073840 0.69 ROCK2 (0.48) AKT1RAB9AKMT2A
SCHEMBL10073838 0.69 ALDH1A1 (0.49) PKMPTPN1SMN1; SMN2ALDH1A1
SCHEMBL10047436 0.68 KDM4E (0.46) KDM4EKMT2A
SCHEMBL10073648 0.68 ALDH1A1 (0.42) PKMKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL10072889 0.67 CA2 (0.40) MAPTPKMKDM4EMEN1KMT2A

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 MGLL 4234/4885MAPT 2437/4885PKM 685/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA MGLL 4234/4885MAPT 2437/4885PKM 685/4885

“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.