SCHEMBL3033111

SCHEMBL3033111

c1cnn(-c2cc(-c3cnc4ccc(-c5cc[nH]n5)cn34)ccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41
GRM5 P41594 4/20 0.39
PIK3CA P42336 3/20 0.36
MTOR P42345 2/20 0.36
CHEK1 O14757 4/20 0.34
GSK3B P49841 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
KIT P10721 1/20 0.34
FYN P06241 3/20 0.33
KCNH2 Q12809 1/20 0.33
CHEK2 O96017 1/20 0.33
MIF P14174 1/20 0.33
GRK5 P34947 1/20 0.32

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
SCHEMBL3034092 0.79 GRM5 (0.46) ACVR1BTGFBR1GRM5CHEK1GSK3B
SCHEMBL3031014 0.79 TGFBR1 (0.41) ACVR1BTGFBR1GRM5PIK3CAMTOR
SCHEMBL3030851 0.77 GRM5 (0.41) ACVR1BTGFBR1GRM5PIK3CAMTOR
SCHEMBL3033533 0.77 MKNK1 (0.46) FYN
SCHEMBL3022761 0.76 FYN (0.48) GRM5FYNKCNH2
SCHEMBL3033094 0.75 FYN (0.44) GRM5FYN
SCHEMBL3031128 0.75 FYN (0.42) PIK3CAMTORCHEK1GSK3BPRMT5
SCHEMBL3025964 0.72 FYN (0.52) PIK3CAFYNKCNH2
SCHEMBL3021775 0.72 PIK3CA (0.45) GRM5PIK3CAMTORKCNH2
SCHEMBL3014044 0.72 FYN (0.41) PIK3CAMTORFYN

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 ACVR1B 9/4885TGFBR1 11/4885GRM5 958/4885

“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.