SCHEMBL2298659

SCHEMBL2298659

Cc1cccc(-c2cc(Nc3ccncc3)c3cccnc3n2)n1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.70
CYP3A4 P08684 1/20 0.64
CYP2C8 P10632 1/20 0.64
MAPK14 Q16539 1/20 0.48
ACP1 P24666 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
TGFBR2 P37173 1/20 0.41
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2A6 P11509 1/20 0.37

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
SCHEMBL12426549 0.86 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8MAPK14TRPV1
SCHEMBL2301037 0.85 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8MAPK14ACP1
SCHEMBL2298901 0.85 TGFBR1 (0.52) TGFBR1CYP3A4CYP2C8ACP1TRPV1
SCHEMBL12426555 0.83 TGFBR1 (0.49) TGFBR1CYP3A4CYP2C8MAPK14TRPV1
SCHEMBL12090562 0.82 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8MAPK14ACP1
SCHEMBL12426556 0.81 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8MAPK14TGFBR2
SCHEMBL2300995 0.81 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8ACP1TRPV1
SCHEMBL12426557 0.81 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL2300145 0.80 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8ACP1TRPV1
SCHEMBL2295488 0.80 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8ACP1TRPV1

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 3742/4885CYP3A4 828/4885CYP2C8 2496/4885

“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.