SCHEMBL3132387

SCHEMBL3132387

CN(C)CCCOc1ccc(-c2ccn3c(-c4ccnc(-c5ccc(F)cc5)c4)cnc3c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.56
FGFR3 P22607 4/20 0.56
FYN P06241 2/20 0.51
FLT3 P36888 4/20 0.47
ACVR1B P36896 1/20 0.46
TGFBR1 P36897 1/20 0.46
ATM Q13315 5/20 0.43
TDO2 P48775 1/20 0.41
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
ABL1 P00519 1/20 0.40
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
GSK3B P49841 1/20 0.40
NEK2 P51955 1/20 0.40
DYRK1A Q13627 1/20 0.40
RPS6KA1 Q15418 1/20 0.40

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
SCHEMBL3020504 0.87 FLT3 (0.49) KDRFGFR3FYNFLT3CHEK1
SCHEMBL3030618 0.85 KDR (0.61) KDRFGFR3FYNFLT3
SCHEMBL3016043 0.84 FLT3 (0.49) KDRFGFR3FLT3
SCHEMBL3034660 0.82 FLT3 (0.51) KDRFGFR3FLT3
SCHEMBL3022630 0.82 FLT3 (0.47) KDRFGFR3FLT3
SCHEMBL3020611 0.80 FLT3 (0.55) KDRFGFR3FLT3ACVR1BTGFBR1
SCHEMBL3020959 0.78 KDR (0.60) KDRFGFR3FLT3
SCHEMBL3025289 0.78 FLT3 (0.54) KDRFGFR3FLT3
SCHEMBL3024955 0.77 FLT3 (0.63) KDRFGFR3FLT3
SCHEMBL3030797 0.77 FYN (0.59) 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 KDR 372/4885FGFR3 32/4885FYN 1939/4885

“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.