SCHEMBL2750834

SCHEMBL2750834

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 2/20 0.57
GRK5 P34947 8/20 0.56
GRK2 P25098 6/20 0.56
MET P08581 13/20 0.53
KCNH2 Q12809 2/20 0.53
FLT3 P36888 4/20 0.53
AURKA O14965 1/20 0.51
MST1R Q04912 1/20 0.51

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
SCHEMBL2749750 0.93 GRK5 (0.57) MAP4K3GRK5GRK2METKCNH2
SCHEMBL2748605 0.90 GRK5 (0.57) MAP4K3GRK5GRK2METKCNH2
SCHEMBL2748338 0.88 GRK5 (0.52) GRK5GRK2METKCNH2FLT3
SCHEMBL2749754 0.87 MET (0.56) MAP4K3GRK5GRK2METKCNH2
SCHEMBL2748703 0.87 MET (0.67) MAP4K3GRK5GRK2METKCNH2
SCHEMBL2749292 0.87 MET (0.56) MAP4K3GRK5GRK2METKCNH2
SCHEMBL2385920 0.86 MET (0.66) MAP4K3GRK5GRK2METKCNH2
SCHEMBL2749263 0.85 GRK5 (0.54) MAP4K3GRK5GRK2METKCNH2
Hydrochloric Acid SCHEMBL2750062 0.85 MET (0.66) MAP4K3GRK5GRK2METKCNH2
SCHEMBL2749144 0.85 GRK5 (0.61) MAP4K3GRK5GRK2METKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 US 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 MAP4K3 114/4885GRK5 317/4885GRK2 87/4885

“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.