SCHEMBL12424834

SCHEMBL12424834

Fc1ccc(Cl)cc1-c1cc(-n2ccc3cncnc32)c2cccnc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.39
▸ MKNK2 Q9HBH9 7/20 0.37
▸ TGFBR1 P36897 5/20 0.36
▸ CYP3A4 P08684 5/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ TNKS O95271 1/20 0.34
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ F3 P13726 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL12424772 0.90 MKNK2 (0.40) MKNK2MKNK1F2F10F7
SCHEMBL12424675 0.85 TGFBR1 (0.44) IDO1TGFBR1CYP3A4CYP1A2
SCHEMBL12426288 0.77 MKNK2 (0.39) IDO1MKNK2TGFBR1CYP3A4MKNK1
SCHEMBL12424837 0.76 TGFBR1 (0.40) IDO1TGFBR1CYP3A4CYP1A2
SCHEMBL245869 0.76 IDO1 (0.45) IDO1TGFBR1CYP3A4TNKSF2
SCHEMBL12424826 0.75 TGFBR1 (0.43) IDO1MKNK2TGFBR1CYP3A4CYP1A2
SCHEMBL12424693 0.75 TGFBR1 (0.42) IDO1TGFBR1CYP3A4CYP1A2TNKS
SCHEMBL12425353 0.75 TGFBR1 (0.42) IDO1TGFBR1CYP3A4CYP1A2TNKS
SCHEMBL12424762 0.73 TGFBR1 (0.35) TGFBR1CYP3A4CYP1A2
SCHEMBL15976496 0.73 TGFBR1 (0.35) IDO1MKNK2TGFBR1CYP3A4CYP1A2

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 6 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-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

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 IDO1 2695/4885MKNK2 3006/4885TGFBR1 3742/4885

“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.

Send feedback