SCHEMBL3026528

SCHEMBL3026528

O=S(=O)(NC1CC1)c1ccc(-c2ccc3ncc(-c4ccnc(-n5cccn5)c4)n3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.44
MTOR P42345 4/20 0.44
EIF2AK4 Q9P2K8 2/20 0.41
KCNH2 Q12809 1/20 0.41
TTK P33981 3/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
FLT3 P36888 3/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL3021775 0.85 PIK3CA (0.45) PIK3CAMTORKCNH2FLT3
SCHEMBL3036332 0.84 PIK3CA (0.44) PIK3CAMTORKCNH2FLT3
SCHEMBL3031014 0.79 TGFBR1 (0.41) PIK3CAMTORKCNH2FLT3
SCHEMBL3033094 0.77 FYN (0.44) CCNT1CDK9
SCHEMBL3033533 0.77 MKNK1 (0.46)
SCHEMBL3025964 0.76 FYN (0.52) PIK3CAKCNH2
SCHEMBL3027037 0.76 MAPK8 (0.43) KCNH2MAPK8MAPK9FLT3
SCHEMBL3022761 0.74 FYN (0.48) KCNH2
SCHEMBL3034092 0.74 GRM5 (0.46) EIF2AK4FLT3
SCHEMBL3030851 0.73 GRM5 (0.41) PIK3CAMTORKCNH2FLT3

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
CN-101827844-B Imidazo [1,2-a] pyridine derivatives useful as ALK inhibitors NOVARTIS AG 2013-08-14 CN disclosed
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
CN-101827844-A Imidazo [1,2-a] pyridine derivatives useful as ALK inhibitors NOVARTIS AG 2010-09-08 CN 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 1367/4885EIF2AK4 1966/4885

“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.