SCHEMBL360975

SCHEMBL360975

Cn1cnc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
PTPN7 P35236 1/20 0.57
CA12 O43570 16/20 0.56
CA1 P00915 16/20 0.56
CA2 P00918 16/20 0.56
CA9 Q16790 16/20 0.56
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL358715 0.85 CA1 (0.60) CA12CA1CA2CA9CA4
SCHEMBL28499329 0.78 KMT2A (1.00) KMT2APTPN7CA12CA1CA2
SCHEMBL357665 0.76 KMT2A (0.64) KMT2APTPN7CA12CA1CA2
SCHEMBL9280164 0.74 PTPN7 (1.00) KMT2APTPN7CA12CA1CA2
SCHEMBL6252334 0.72 KMT2A (1.00) KMT2APTPN7CA12CA1CA2
SCHEMBL15134184 0.72 KMT2A (0.85) KMT2APTPN7CA12CA1CA2
SCHEMBL671546 0.72 CA2 (1.00) KMT2APTPN7CA12CA1CA2
SCHEMBL671469 0.71 CA1 (1.00) KMT2APTPN7CA12CA1CA2
SCHEMBL671553 0.70 CA2 (1.00) KMT2APTPN7CA12CA1CA2
SCHEMBL673381 0.70 CA12 (1.00) KMT2APTPN7CA12CA1CA2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 KMT2A 4190/4885PTPN7 4059/4885CA12 1400/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 KMT2A 4190/4885PTPN7 4059/4885CA12 1400/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 KMT2A 4190/4885PTPN7 4059/4885CA12 1400/4885

“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.