Sugi Predict

Sugi Predict / Compounds / SCHEMBL246399

SCHEMBL246399

SCHEMBL246399

CC(=O)Nc1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.45
▸ ADORA3 P0DMS8 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ ADORA1 P30542 5/20 0.39
▸ PIM2 Q9P1W9 9/20 0.39
▸ PIM1 P11309 7/20 0.39
▸ BAD Q92934 3/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ PIM3 Q86V86 4/20 0.38
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ F7 P08709 1/20 0.38

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
SCHEMBL19791506 0.84 MAPK14 (0.38) ADORA2AADORA3ABCG2ADORA1PIM2
SCHEMBL246749 0.83 ADORA2A (0.47) ADORA2AADORA3KDM4EMEN1ALDH1A1
SCHEMBL245801 0.81 ADORA2A (0.43) ADORA2AADORA3KDM4EMEN1ALDH1A1
SCHEMBL3385898 0.80 NPC1 (0.40) KDM4EMAPTDHODHPIM2PIM1
SCHEMBL246201 0.79 TBK1 (0.49) KDM4EALDH1A1SMN1; SMN2DHODHPIM2
SCHEMBL15460611 0.79 NPC1 (0.39) KDM4EMAPTABCG2DHODHPIM2
SCHEMBL247583 0.78 NPC1 (0.44) KDM4EMAPTDHODHPIM2PIM1
SCHEMBL14887714 0.77 NPC1 (0.41) ADORA2AKDM4EMAPTDHODHADORA1
SCHEMBL19791772 0.77 ABCG2 (0.41) ABCG2PIM2PIM1BADFLT3
SCHEMBL3389470 0.77 ALOX5AP (0.44) HTTKMT2ADHODHPIM2PIM1

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 25 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
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 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
CN-102958930-A 2,4- diaryl - substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH 2013-03-06 — — CN claimed
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 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
CN-102958930-A 2,4- diaryl - substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH 2013-03-06 — — CN 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 ADORA2A 466/4885ADORA3 413/4885KDM4E 3624/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D ADORA2A 466/4885ADORA3 413/4885KDM4E 3624/4885
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 ADORA2A 1014/4885ADORA3 1324/4885KDM4E 1734/4885

“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.