SCHEMBL12440246

SCHEMBL12440246

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc(-c2cc(Cl)ccc2F)nc2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.56
GRK2 P25098 6/20 0.51
GRK5 P34947 6/20 0.51
KCNH2 Q12809 2/20 0.50
MAP4K3 Q8IVH8 5/20 0.49
JAK2 O60674 1/20 0.49
AXL P30530 1/20 0.48
MST1R Q04912 1/20 0.48
ALK Q9UM73 1/20 0.48
FLT3 P36888 1/20 0.48

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
Hydrochloric Acid SCHEMBL2328784 0.99 MET (0.55) METGRK2GRK5KCNH2MAP4K3
SCHEMBL12441181 0.93 MET (0.56) METGRK2GRK5KCNH2MAP4K3
SCHEMBL19791642 0.92 MET (0.51) METGRK2GRK5KCNH2MAP4K3
SCHEMBL2321067 0.89 INPPL1 (0.50) METMAP4K3JAK2ALK
Hydrochloric Acid SCHEMBL2324061 0.88 INPPL1 (0.49) METMAP4K3ALK
SCHEMBL2324841 0.84 MAP4K3 (0.47) METMAP4K3ALK
SCHEMBL19791644 0.81 MET (0.49) METGRK2GRK5KCNH2FLT3
SCHEMBL2320474 0.80 MAP4K1 (0.53) METGRK2GRK5KCNH2MAP4K3
Hydrochloric Acid SCHEMBL13834975 0.80 MAP4K1 (0.52) METGRK2GRK5KCNH2MAP4K3
SCHEMBL2324969 0.80 MET (0.44) METGRK2GRK5MAP4K3ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 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 (2 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-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MET 2262/4885GRK2 3851/4885GRK5 3303/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MET 2262/4885GRK2 3851/4885GRK5 3303/4885

“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.