Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073838

SCHEMBL10073838

SCHEMBL10073838

O=S(=O)(NCc1ccc(Cl)c(C(F)(F)F)c1)c1n[nH]c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ P2RX7 Q99572 2/20 0.43
▸ AURKA O14965 2/20 0.43
▸ RPS6KB1 P23443 2/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ PTPN1 P18031 3/20 0.41
▸ PTPN6 P29350 3/20 0.41
▸ PTPN11 Q06124 3/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDR P35968 1/20 0.39
▸ KCNN4 O15554 1/20 0.39

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
SCHEMBL10073840 0.82 ROCK2 (0.48) LMNAAURKARPS6KB1AURKBTRPV1
SCHEMBL12243435 0.78 NAMPT (0.49) NAMPTKCNN4
SCHEMBL10072887 0.77 KMT2A (0.42) TRPV1SMN1; SMN2
SCHEMBL10073647 0.76 ALDH1A1 (0.47) ALDH1A1LMNANAMPT
SCHEMBL10073460 0.74 TBXA2R (0.44) ALDH1A1LMNATRPV1TSHRSMN1; SMN2
SCHEMBL13473572 0.74 ALDH1A1 (0.42) ALDH1A1LMNANAMPT
SCHEMBL10074043 0.74 ALDH1A1 (0.48) ALDH1A1LMNARPS6KB1NAMPT
SCHEMBL10073644 0.73 ALDH1A1 (0.44) ALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL10073645 0.73 P2RX7 (0.41) ALDH1A1P2RX7SMN1; SMN2
SCHEMBL10072937 0.73 KDM4E (0.37) ALDH1A1LMNATSHRSMN1; SMN2

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 ALDH1A1 3237/4885LMNA 3403/4885P2RX7 2002/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALDH1A1 3237/4885LMNA 3403/4885P2RX7 2002/4885

“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.