SCHEMBL8950280

SCHEMBL8950280

CCNC(=O)c1ncnn1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
MAP4K4 O95819 1/20 0.36
MAPK14 Q16539 3/20 0.34
AAK1 Q2M2I8 1/20 0.34
HPGDS O60760 1/20 0.33
CHIA Q9BZP6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
FPR1 P21462 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
PDE4B Q07343 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL8954913 0.88 BRD4 (0.40) BRD4MAPK14L3MBTL1MMP1MMP2
SCHEMBL8950274 0.83 RET (0.38) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL8950240 0.81 PIK3CA (0.38) BRD4
SCHEMBL8950128 0.80 EGLN2 (0.36) MAPK14HPGDSMMP1MMP2MMP9
SCHEMBL8996016 0.78 MAP4K4 (0.38) BRD4MAP4K4MAPK14CHIAL3MBTL1
SCHEMBL1431710 0.75 KDM4E (0.36) POLB
SCHEMBL1485662 0.75 SRC (0.35)
Lithium SCHEMBL30893549 0.74 KDM4E (0.36) POLB
Lithium Ion SCHEMBL25376591 0.73 DGAT1 (0.30)
SCHEMBL8950238 0.71 KMT2A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 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-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 BRD4 4607/4885MAP4K4 2380/4885MAPK14 1854/4885

“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.