Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072887

SCHEMBL10072887

SCHEMBL10072887

O=S(=O)(NCCc1ccc(Cl)c(Cl)c1)c1n[nH]c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ TBXA2R P21731 2/20 0.40
▸ TBXAS1 P24557 2/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ KAT2A Q92830 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PLAAT3 P53816 1/20 0.37
▸ PLAAT5 Q96KN8 1/20 0.37
▸ PLAAT2 Q9NWW9 1/20 0.37
▸ PLAAT4 Q9UL19 1/20 0.37
▸ ROCK1 Q13464 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL10072890 0.83 KMT2A (0.39) KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL10073458 0.82 TBXAS1 (0.39) KMT2ATBXA2RTBXAS1SMN1; SMN2
SCHEMBL10073460 0.80 TBXA2R (0.44) KMT2ATBXA2RTBXAS1CNR1EP300
SCHEMBL10073838 0.77 ALDH1A1 (0.49) TRPV1SMN1; SMN2
SCHEMBL10072908 0.75 L3MBTL1 (0.51) KMT2AKDM4EGAA
SCHEMBL10072916 0.74 — —
SCHEMBL10073161 0.72 LMNA (0.40) TBXA2RTBXAS1KDM4ECNR1SMN1; SMN2
SCHEMBL10073645 0.72 P2RX7 (0.41) KDM4ESMN1; SMN2
SCHEMBL10073655 0.71 ALDH1A1 (0.50) KMT2AKDM4EMAPTSMN1; SMN2GAA
SCHEMBL10073647 0.70 ALDH1A1 (0.47) KDM4EMAPTCNR1

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 7 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
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 649/4885TBXA2R 1993/4885TBXAS1 1216/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA KMT2A 649/4885TBXA2R 1993/4885TBXAS1 1216/4885

“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.