SCHEMBL2299819

SCHEMBL2299819

Fc1ccccc1-c1cc(Nc2ccncn2)c2cccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ACP1 P24666 2/20 0.46
MPL P40238 4/20 0.43
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TRPV1 Q8NER1 4/20 0.37
MAPK3 P27361 1/20 0.37
DHODH Q02127 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
RET P07949 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL2299215 0.89 ACP1 (0.43) TGFBR1CYP1A2CYP3A4ACP1MPL
SCHEMBL2297302 0.88 TGFBR1 (0.47) TGFBR1CYP1A2CYP3A4ACP1MPL
SCHEMBL2300323 0.86 MPL (0.49) ACP1MPLTRPV1MAPK3
SCHEMBL12090607 0.86 ACP1 (0.61) TGFBR1CYP1A2CYP3A4ACP1MPL
SCHEMBL12425320 0.85 CYP1A2 (0.41) TGFBR1CYP1A2CYP3A4MPLF2
SCHEMBL15976495 0.85 ACP1 (0.40) TGFBR1CYP1A2CYP3A4ACP1MPL
SCHEMBL2302228 0.85 TGFBR1 (0.64) TGFBR1CYP1A2CYP3A4ACP1F2
SCHEMBL12425326 0.80 ADORA2A (0.51) TGFBR1CYP1A2CYP3A4F2F10
SCHEMBL12424706 0.80 CYP1A2 (0.45) TGFBR1CYP1A2CYP3A4F2F10
SCHEMBL2301037 0.77 TGFBR1 (0.53) TGFBR1CYP3A4ACP1TRPV1MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
CN-103097381-A 1, 8-naphthyridines as kinase inhibitors MERCK PATENT GMBH 2013-05-08 CN disclosed
EP-2539336-A2 HETARYLAMINONAPHTHYRIDINES Merck Patent GmbH (DE) 2013-01-02 EP disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 WO disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D TGFBR1 3742/4885CYP1A2 1450/4885CYP3A4 828/4885

“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.