SCHEMBL10072932

SCHEMBL10072932

NC(=O)C1CCN(S(=O)(=O)c2n[nH]c3ncccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TNF P01375 1/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL10072891 0.82 DRD2 (0.42) MAPTTSHR
SCHEMBL10072897 0.81 COMT (0.49) ALDH1A1LMNANPSR1MAPTKDM4E
SCHEMBL10072940 0.81 COMT (0.39) NAMPT
SCHEMBL10072901 0.81 PIM1 (0.44) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL10072903 0.81 ROCK2 (0.41) NAMPTLMNAMAPTTSHR
SCHEMBL10072929 0.81 KDM4E (0.48) NAMPTALDH1A1NPC1KDM4EPOLB
SCHEMBL10072905 0.80 KDM4E (0.50) NAMPTALDH1A1LMNANPSR1NPC1
SCHEMBL10073452 0.78 VNN1 (0.38) RAB9A
SCHEMBL10073646 0.78 VNN1 (0.38) RAB9A
SCHEMBL12243395 0.77 GRM4 (0.39) NAMPTTSHR

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 NAMPT 962/4885ALDH1A1 3237/4885LMNA 3403/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA NAMPT 962/4885ALDH1A1 3237/4885LMNA 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.