SCHEMBL3025964

SCHEMBL3025964

CS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccnc(-n5cccn5)c4)n3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.52
KCNH2 Q12809 1/20 0.48
PAX8 Q06710 1/20 0.44
PIK3CA P42336 5/20 0.44
KLK7 P49862 1/20 0.42
BRD4 O60885 1/20 0.42
TNIK Q9UKE5 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL3033094 0.80 FYN (0.44) FYNTNIK
SCHEMBL3021775 0.79 PIK3CA (0.45) KCNH2PIK3CAPIK3CDPIK3CG
SCHEMBL3026322 0.79 FYN (0.54) FYNKCNH2PAX8PIK3CABRD4
SCHEMBL3022761 0.77 FYN (0.48) FYNKCNH2
SCHEMBL3036332 0.76 PIK3CA (0.44) FYNKCNH2PIK3CA
SCHEMBL3026528 0.76 PIK3CA (0.44) KCNH2PIK3CA
SCHEMBL3030851 0.76 GRM5 (0.41) FYNKCNH2PIK3CA
SCHEMBL3031014 0.76 TGFBR1 (0.41) FYNKCNH2PIK3CA
SCHEMBL3033533 0.76 MKNK1 (0.46) FYNPIK3CD
SCHEMBL3034092 0.74 GRM5 (0.46) FYN

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 FYN 1939/4885KCNH2 1882/4885PAX8 1088/4885

“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.