SCHEMBL8950433

SCHEMBL8950433

CC(=O)c1cccc(-c2ncnn2C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.53
ABL1 P00519 2/20 0.53
SRC P12931 2/20 0.53
PIK3CD O00329 1/20 0.53
EGFR P00533 1/20 0.53
HCK P08631 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
MTOR P42345 1/20 0.53
PIK3CG P48736 1/20 0.53
EPHB4 P54760 1/20 0.53
PRKDC P78527 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
CREBBP Q92793 1/20 0.44
FYN P06241 12/20 0.43
MAP4K4 O95819 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
MAPK8 P45983 2/20 0.43

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
SCHEMBL10389918 0.71 MAP4K4 (0.59) KDRBRD4BRD2CREBBPFYN
SCHEMBL8950068 0.70 DGAT1 (0.46) DGAT1
SCHEMBL8264151 0.70 DHODH (0.54) KDRBRD4BRD2CREBBPMAP4K4
SCHEMBL2469922 0.70 SRC (1.00) KDRABL1SRCPIK3CDEGFR
SCHEMBL2586835 0.69 KMO (0.59) KDRBRD4BRD2CREBBPMAP4K4
SCHEMBL13692315 0.69 MEN1 (0.56) KDRABL1BRD4BRD2CREBBP
SCHEMBL15723938 0.69 MAP4K4 (0.45) KDRABL1SRCPIK3CDEGFR
SCHEMBL23344109 0.68 MAP4K4 (0.54) KDRABL1BRD4BRD2CREBBP
SCHEMBL13509091 0.68 ABL1 (0.51) KDRABL1SRCPIK3CDEGFR
SCHEMBL8950122 0.67 TDP1 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B

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 KDR 4372/4885ABL1 4525/4885SRC 4364/4885

“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.