SCHEMBL2302228

SCHEMBL2302228

Fc1ccccc1-c1cc(Nc2ccncc2)c2cccnc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.64
CYP1A2 P05177 5/20 0.64
CYP3A4 P08684 4/20 0.64
CYP2C8 P10632 3/20 0.48
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
ACP1 P24666 2/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
MAP4K4 O95819 1/20 0.40
PRKD3 O94806 1/20 0.38
PRKD1 Q15139 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38

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
SCHEMBL12424680 0.88 TGFBR1 (0.52) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1
SCHEMBL2302349 0.88 TGFBR1 (0.52) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1
SCHEMBL12424817 0.87 TGFBR1 (0.64) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1
SCHEMBL2298429 0.85 TRPV1 (0.52) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1
SCHEMBL2299819 0.85 TGFBR1 (0.47) TGFBR1CYP1A2CYP3A4F2F10
SCHEMBL12494375 0.84 TGFBR1 (0.59) TGFBR1CYP1A2CYP3A4CYP2C8ACP1
SCHEMBL12090425 0.84 TGFBR1 (0.68) TGFBR1CYP1A2CYP3A4CYP2C8ACP1
SCHEMBL14227370 0.83 ACP1 (0.51) TGFBR1CYP1A2CYP3A4CYP2C8ACP1
SCHEMBL12424706 0.83 CYP1A2 (0.45) TGFBR1CYP1A2CYP3A4F2F10
SCHEMBL12425139 0.82 TGFBR1 (0.46) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
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.