SCHEMBL3382045

SCHEMBL3382045

FC(F)(F)c1ccc(-c2cc(-c3c[nH]c4ncccc34)c3cccnc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.48
CDK2 P24941 6/20 0.47
CDK9 P50750 5/20 0.47
CCNT1 O60563 2/20 0.47
CCNA2 P20248 2/20 0.47
CCNB2 O95067 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
RET P07949 1/20 0.47
CDC7 O00311 8/20 0.46
MAP4K4 O95819 6/20 0.46
PIM1 P11309 6/20 0.46
PRKACA P17612 6/20 0.46
GSK3B P49841 6/20 0.46
HIPK2 Q9H2X6 5/20 0.46
CLK4 Q9HAZ1 5/20 0.46
ROCK2 O75116 3/20 0.46
IRAK4 Q9NWZ3 3/20 0.46
DYRK1A Q13627 5/20 0.46

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
SCHEMBL12501060 0.90 CDK2 (0.44) TOP1CDK2CDK9CCNT1CCNA2
SCHEMBL3386630 0.90 CDC7 (0.52) CDK2CDK9CCNT1CCNA2CCNB2
SCHEMBL14877206 0.85 CDC7 (0.46) CDK2CDK9CCNT1CCNA2CCNB2
SCHEMBL3384274 0.85 CDC7 (0.56) CDK2CDK9CCNT1CCNA2CCNB2
SCHEMBL3386631 0.84 CDC7 (0.47) CDK2CDK9CCNT1CCNA2CCNB2
SCHEMBL857999 0.82 CAMKK2 (0.59) CDK2CDK9CCNT1CCNA2CCNB2
SCHEMBL15397128 0.81 CDC7 (0.44) CDK2CDK9CCNT1CCNA2CCNB2
SCHEMBL12501031 0.75 CCNB2 (0.51) CDK2CDK9CCNT1CCNA2CCNB2
SCHEMBL28052422 0.75 TGFBR1 (0.49) CDK2CDK9CCNT1CCNA2CCNB2
SCHEMBL3252733 0.74 CCNB2 (0.74) CDK2CCNB2CDK1CCNB1CCNB3

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 7 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-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
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-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-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
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
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

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-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 TOP1 939/4885CDK2 67/4885CDK9 74/4885

“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.