SCHEMBL246837

SCHEMBL246837

Fc1cc(F)c(-c2cc(Cl)c3cccnc3n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC40A1 Q9NP59 2/20 0.41
ALDH1A1 P00352 3/20 0.40
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
MMP14 P50281 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
HSP90AA1 P07900 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
SLC6A2 P23975 2/20 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
SCHEMBL245869 0.87 IDO1 (0.45) CCR1CCR8L3MBTL1SLC40A1ALDH1A1
SCHEMBL245420 0.86 IDO1 (0.44) CCR1CCR8L3MBTL1SLC40A1ALDH1A1
SCHEMBL246960 0.85 F2 (0.50) CCR1CCR8L3MBTL1ALDH1A1F2
SCHEMBL13968412 0.83 IDO1 (0.43) CCR1CCR8L3MBTL1SLC40A1ALDH1A1
SCHEMBL247275 0.81 MPL (0.44) CCR1CCR8L3MBTL1SLC40A1F2
SCHEMBL2327907 0.79 IDO1 (0.49) CCR1CCR8L3MBTL1SLC40A1F2
SCHEMBL244131 0.78 TOP1 (0.46) CCR1CCR8L3MBTL1ALDH1A1SUCNR1
SCHEMBL2298924 0.75 CCR1 (0.56) CCR1CCR8L3MBTL1ALDH1A1MMP14
SCHEMBL12424720 0.75 ADORA1 (0.60) CCR1CCR8L3MBTL1ALDH1A1MMP14
SCHEMBL2302349 0.75 TGFBR1 (0.52) L3MBTL1KDM4ECYP3A4CYP1A2CYP2C8

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 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
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-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-8614226-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2013-12-24 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-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
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
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-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 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 (4 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 CCR1 4821/4885CCR8 4812/4885L3MBTL1 2120/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D CCR1 4821/4885CCR8 4812/4885L3MBTL1 2120/4885
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D CCR1 4572/4885CCR8 4834/4885L3MBTL1 980/4885
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 CCR1 4372/4885CCR8 4681/4885L3MBTL1 3707/4885

“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.