SCHEMBL2295752

SCHEMBL2295752

Cc1cccc(-c2cc(Nc3cc(N)ncn3)c3cccnc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
ACP1 P24666 1/20 0.35
TGFBR2 P37173 1/20 0.35
GRM5 P41594 3/20 0.35
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
EGFR P00533 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAP4K1 Q92918 1/20 0.34
DOT1L Q8TEK3 1/20 0.33

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
SCHEMBL2300995 0.91 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8CCR1CCR8
SCHEMBL2301037 0.85 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8CCR1CCR8
SCHEMBL1818336 0.84 TGFBR1 (0.61) TGFBR1CYP3A4CYP2C8ACP1DOT1L
SCHEMBL14227397 0.80 MAP4K1 (0.32) ACP1JAK2TYK2MAP4K1
SCHEMBL2298659 0.79 TGFBR1 (0.70) TGFBR1CYP3A4CYP2C8CCR1CCR8
SCHEMBL12425325 0.79 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8CCR1CCR8
SCHEMBL12425320 0.78 CYP1A2 (0.41) TGFBR1CYP3A4ADORA2AADORA1
SCHEMBL12424714 0.77 ADORA2A (0.48) TGFBR1CYP3A4CYP2C8CCR1CCR8
SCHEMBL12424688 0.76 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8
SCHEMBL12426549 0.76 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8CCR1CCR8

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
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
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.