Sugi Predict

Sugi Predict / Compounds / SCHEMBL10074044

SCHEMBL10074044

SCHEMBL10074044

CC(C)(C)c1ccc(OCCNS(=O)(=O)c2n[nH]c3ncccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.41
▸ POLB P06746 3/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ UQCRB P14927 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ATM Q13315 1/20 0.38

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 0.82 ALDH1A1 (0.47) LMNAHTTMAPTALDH1A1POLB
SCHEMBL10073655 0.77 ALDH1A1 (0.50) LMNASMN1; SMN2NPSR1MAPTALDH1A1
SCHEMBL10073460 0.74 TBXA2R (0.44) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL13473572 0.73 ALDH1A1 (0.42) LMNAHTTALDH1A1POLBKMT2A
SCHEMBL10072893 0.72 ALDH1A1 (0.41) LMNASMN1; SMN2MAPTALDH1A1POLB
SCHEMBL17069871 0.71 ALDH1A1 (0.60) LMNAHTTSMN1; SMN2NPSR1MAPT
SCHEMBL10073161 0.71 LMNA (0.40) LMNAHTTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL10073644 0.70 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL10072910 0.70 ALOX5AP (0.36) ALDH1A1KMT2AUQCRBKDM4E
SCHEMBL10073160 0.70 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1UQCRBKDM4E

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 LMNA 3403/4885HTT 2198/4885SMN1; SMN2 2765/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA LMNA 3403/4885HTT 2198/4885SMN1; SMN2 2765/4885

“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.