Sugi Predict

Sugi Predict / Compounds / SCHEMBL247583

SCHEMBL247583

SCHEMBL247583

Fc1ccccc1-c1cc(-c2cncc3cnccc23)c2cccnc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ F10 P00742 2/20 0.43
▸ F7 P08709 2/20 0.43
▸ F3 P13726 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3393479 0.90 IKBKE (0.50) NPC1F10F7F3F2
SCHEMBL12440185 0.87 TGFBR1 (0.41) CYP1A2CYP3A4TGFBR1KDRIDO1
SCHEMBL246201 0.85 TBK1 (0.49) NPC1F10F7F3F2
SCHEMBL246233 0.85 NPC1 (0.41) NPC1F10F7F3F2
SCHEMBL19791331 0.84 RPS6KA3 (0.46) NPC1F10F7F3F2
SCHEMBL15460611 0.84 NPC1 (0.39) NPC1F10F7F3F2
SCHEMBL3391889 0.84 GABRG2 (0.42) NPC1F10F7F3F2
SCHEMBL12441261 0.83 NPC1 (0.39) NPC1F10F7F3F2
SCHEMBL3379868 0.83 NPC1 (0.42) NPC1F10F7F3F2
SCHEMBL247162 0.83 NPC1 (0.48) NPC1F10F7F3F2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 — — US claimed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US claimed
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 — — EP disclosed
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 — — EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 — — US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 — — US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 — — US disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 — — US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 — — US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 — — US disclosed
EP-2585461-A1 2,4- DIARYL - SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER Merck Patent GmbH (DE) 2013-05-01 — — EP disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US disclosed
EP-2531500-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2012-12-12 — — EP disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 — — US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 — — US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 — — US disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 — — WO disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 — — WO disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 — — 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 (3 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-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D NPC1 261/4885F10 4453/4885F7 4576/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D NPC1 261/4885F10 4453/4885F7 4576/4885
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 NPC1 2454/4885F10 4745/4885F7 4854/4885

“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.