Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073455

SCHEMBL10073455

SCHEMBL10073455

CC(CCNS(=O)(=O)c1n[nH]c2ncccc12)Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MET P08581 1/20 0.32
▸ MAP3K5 Q99683 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10073161 0.82 LMNA (0.40) LMNAALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL10073655 0.74 ALDH1A1 (0.50) KMT2APKMLMNAALDH1A1MAPT
SCHEMBL10073459 0.74 SMN1; SMN2 (0.36) KMT2AALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL10072911 0.74 UTS2R (0.39) KMT2APKMALDH1A1MAPTHTT
SCHEMBL10073639 0.73 MET (0.33) KMT2APKMLMNAALDH1A1HTT
SCHEMBL10073162 0.73 NR3C1 (0.42) PKMALDH1A1POLBHPGDKDM4E
SCHEMBL10073159 0.72 ALDH1A1 (0.35) ALDH1A1MAPTPOLBHTTHPGD
SCHEMBL10073466 0.72 ALDH1A1 (0.50) KMT2APKMLMNAALDH1A1MAPT
SCHEMBL10072921 0.71 CNR1 (0.39) KMT2AALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL10073458 0.71 TBXAS1 (0.39) KMT2ASMN1; SMN2TDP1MEN1

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 KMT2A 649/4885PKM 685/4885LMNA 3403/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA KMT2A 649/4885PKM 685/4885LMNA 3403/4885

“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.