SCHEMBL3031014

SCHEMBL3031014

c1cnn(-c2cc(-c3cnc4ccc(-c5ccnc(C6CC6)c5)cn34)ccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
ACVR1B P36896 1/20 0.41
GRM5 P41594 2/20 0.41
KCNH2 Q12809 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
FYN P06241 2/20 0.35
PIK3CA P42336 3/20 0.35
MTOR P42345 2/20 0.35
MKNK1 Q9BUB5 3/20 0.35
MKNK2 Q9HBH9 3/20 0.35
FLT3 P36888 3/20 0.34
CHEK1 O14757 1/20 0.34
GSK3B P49841 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NRAS P01111 1/20 0.33

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
SCHEMBL3022761 0.81 FYN (0.48) GRM5KCNH2FYNMKNK1MKNK2
SCHEMBL3033111 0.79 ACVR1B (0.41) TGFBR1ACVR1BGRM5KCNH2FYN
SCHEMBL3026528 0.79 PIK3CA (0.44) KCNH2PIK3CAMTORFLT3
SCHEMBL3034092 0.79 GRM5 (0.46) TGFBR1ACVR1BGRM5IRAK4FYN
SCHEMBL3033533 0.78 MKNK1 (0.46) FYNMKNK1MKNK2
SCHEMBL3030851 0.78 GRM5 (0.41) TGFBR1ACVR1BGRM5KCNH2FYN
SCHEMBL3033094 0.77 FYN (0.44) GRM5FYNMKNK1MKNK2ADORA2A
SCHEMBL3025964 0.76 FYN (0.52) KCNH2FYNPIK3CA
SCHEMBL3027037 0.75 MAPK8 (0.43) TGFBR1ACVR1BGRM5KCNH2IRAK4
SCHEMBL3021775 0.74 PIK3CA (0.45) GRM5KCNH2PIK3CAMTORFLT3

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 TGFBR1 11/4885ACVR1B 9/4885GRM5 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.