SCHEMBL4580865

SCHEMBL4580865

O=C1NCCN(c2ccnc(Nc3ccc(F)cc3)n2)C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK8 P45983 1/20 0.41
BPTF Q12830 1/20 0.40
EGFR P00533 1/20 0.39
EIF2AK2 P19525 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4582376 0.93 KDR (0.43) HDAC1HDAC8HDAC6MAPTNPC1
SCHEMBL4580975 0.90 IKBKB (0.41) MEN1KMT2ALMNAMAPK1EIF2AK2
SCHEMBL4582327 0.89 HDAC1 (0.47) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL4581955 0.88 IKBKB (0.42) MEN1MAPTKMT2AMKNK1JAK2
SCHEMBL4580743 0.87 KDR (0.50) MEN1MAPTKMT2ANPC1LMNA
SCHEMBL4580715 0.87 PIK3CA (0.52) MAPK14MEN1MAPTKMT2ANPC1
SCHEMBL4580805 0.86 MAPK8 (0.42) HDAC1HDAC8HDAC6MAPK8IDH1
SCHEMBL4580963 0.83 CCNA2 (0.42) HDAC1HDAC8HDAC6JAK2JAK1
SCHEMBL4581040 0.83 KDR (0.51) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL4580811 0.83 KDR (0.51) EIF2AK2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US claimed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US claimed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 MAPK14 124/4885MAPK13 83/4885MAPK12 105/4885

“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.