SCHEMBL12424772

SCHEMBL12424772

Fc1ccccc1-c1cc(-n2ccc3cncnc32)c2cccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 6/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ MET P08581 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CDK2 P24941 2/20 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
SCHEMBL12424834 0.90 IDO1 (0.39) MKNK2F2F10F7F3
SCHEMBL12426288 0.80 MKNK2 (0.39) MKNK2MKNK1
SCHEMBL12424837 0.75 TGFBR1 (0.40) MAPTCDK2
SCHEMBL12424675 0.74 TGFBR1 (0.44) MAPTCDK2
SCHEMBL246960 0.72 F2 (0.50) NPC1F2F10F7F3
SCHEMBL12424762 0.72 TGFBR1 (0.35) MAPTCDK2
SCHEMBL15976496 0.72 TGFBR1 (0.35) MKNK2MAPTCDK2
SCHEMBL12524275 0.71 HSP90AA1 (0.39) MKNK2NPC1MAPTCDK2
SCHEMBL3393479 0.71 IKBKE (0.50) NPC1F2F10F7F3
SCHEMBL247583 0.71 NPC1 (0.44) NPC1F2F10F7F3

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 MKNK2 3006/4885NPC1 843/4885F2 2592/4885

“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