SCHEMBL3021367

SCHEMBL3021367

c1ccc(-c2cc(-c3cnc4cc(-c5cccc(CN6CCOCC6)c5)ccn34)ccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
KDR P35968 9/20 0.49
TGFBR1 P36897 2/20 0.47
FLT3 P36888 3/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
PIK3CD O00329 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
JAK1 P23458 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
SCHEMBL3030308 0.89 KDR (0.54) KDRFLT3
SCHEMBL3585427 0.85 KDR (0.49) CHEK1KDRFLT3JAK1
SCHEMBL3322545 0.84 CHEK1 (0.52) CHEK1KDRFLT3CNR1CNR2
SCHEMBL3034252 0.83 KDR (0.60) CHEK1KDRTGFBR1FLT3
SCHEMBL3030758 0.82 CNR2 (0.49) KDRFLT3CNR2
SCHEMBL3032375 0.80 KDR (0.73) CHEK1KDRFLT3
SCHEMBL3323671 0.80 KDR (0.54) CHEK1KDRALDH1A1
SCHEMBL3035743 0.79 KDR (0.53) CHEK1KDRFLT3
SCHEMBL3327792 0.79 CNR1 (0.47) CHEK1KDRCNR1CNR2PIK3CD
SCHEMBL3031800 0.79 KDR (0.47) KDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212323-B1 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2012-08-15 EP claimed
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 CHEK1 3577/4885KDR 372/4885TGFBR1 11/4885

“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.