SCHEMBL992230

SCHEMBL992230

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.67
KCNH2 Q12809 2/20 0.67
PDPK1 O15530 1/20 0.60
CDK1 P06493 1/20 0.60
CDK2 P24941 1/20 0.60
MKNK1 Q9BUB5 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
GRK5 P34947 8/20 0.59
GRK2 P25098 5/20 0.58
FLT3 P36888 2/20 0.58
MAP4K3 Q8IVH8 5/20 0.56
EGFR P00533 1/20 0.56
NTRK1 P04629 1/20 0.55

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
SCHEMBL2682031 0.89 GRK5 (0.60) METKCNH2GRK5GRK2FLT3
SCHEMBL18427743 0.89 GRK5 (0.58) METKCNH2GRK5GRK2FLT3
SCHEMBL4096428 0.89 EGFR (0.71) METKCNH2PDPK1CDK1CDK2
SCHEMBL2682705 0.88 MET (0.66) METKCNH2GRK5GRK2FLT3
SCHEMBL18427784 0.88 MET (0.68) METKCNH2GRK5GRK2FLT3
SCHEMBL18472790 0.88 MET (0.56) METKCNH2GRK5GRK2FLT3
SCHEMBL2682349 0.86 MET (0.59) METKCNH2GRK5GRK2FLT3
SCHEMBL2680963 0.86 GRK5 (0.64) METKCNH2GRK5GRK2FLT3
SCHEMBL2680979 0.86 GRK5 (0.56) METKCNH2GRK5GRK2FLT3
SCHEMBL2681173 0.86 GRK5 (0.58) METKCNH2GRK5GRK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US claimed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US claimed
US-20200069668-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2020-03-05 US disclosed
US-20200069668-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2020-03-05 US disclosed
US-20170035881-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2017-02-09 US disclosed
US-20170035881-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2017-02-09 US disclosed
US-20170035881-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2017-02-09 US disclosed
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
EP-2454253-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES Merck Patent GmbH (DE) 2012-05-23 EP disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 WO disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 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 (3 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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 MET 3052/4885KCNH2 302/4885PDPK1 14/4885
US-20170035881-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor IRAK4, IRAK1, IRAK2 MET 1388/4885KCNH2 4278/4885PDPK1 370/4885
US-20200069668-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor IRAK4, IRAK1, IRAK2 MET 1388/4885KCNH2 4278/4885PDPK1 370/4885

“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.