SCHEMBL3021775

SCHEMBL3021775

CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3ncc(-c4ccnc(-n5cccn5)c4)n3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.45
MTOR P42345 7/20 0.45
KCNH2 Q12809 1/20 0.43
FLT3 P36888 3/20 0.40
GRM5 P41594 1/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CG P48736 2/20 0.37
KMT2A Q03164 1/20 0.37
CDK19 Q9BWU1 1/20 0.36

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
SCHEMBL3036332 0.85 PIK3CA (0.44) PIK3CAMTORKCNH2FLT3
SCHEMBL3026528 0.85 PIK3CA (0.44) PIK3CAMTORKCNH2FLT3
SCHEMBL3033094 0.80 FYN (0.44) GRM5KMT2A
SCHEMBL3025964 0.79 FYN (0.52) PIK3CAKCNH2PIK3CDPIK3CG
SCHEMBL3033533 0.78 MKNK1 (0.46) PIK3CD
SCHEMBL3014044 0.76 FYN (0.41) PIK3CAMTOR
SCHEMBL3030851 0.76 GRM5 (0.41) PIK3CAMTORKCNH2FLT3GRM5
SCHEMBL3022761 0.75 FYN (0.48) KCNH2GRM5
SCHEMBL3034092 0.74 GRM5 (0.46) FLT3GRM5
SCHEMBL3031014 0.74 TGFBR1 (0.41) PIK3CAMTORKCNH2FLT3GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
EP-2212323-B1 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2012-08-15 EP disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
EP-2212323-A2 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009050183-A2 IMIDAZO [1, 2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2009-04-23 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 (1 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-20100210641-A1 Organic Compounds ALK, ACVR1, ACVRL1 PIK3CA 741/4885MTOR 1367/4885KCNH2 1882/4885

“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.