SCHEMBL20801724

SCHEMBL20801724

CC(C)c1cc(-c2ccccc2)c2nccn2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
ALDH1A2 O94788 1/20 0.38
ALDH1A3 P47895 1/20 0.38
SPTLC1 O15269 1/20 0.38
TMIGD3 P0DMS9 3/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
AURKA O14965 1/20 0.36
TP53 P04637 2/20 0.36
AKT1 P31749 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL20125121 0.80 ACKR3 (0.43) ALDH1A2ALDH1A3SPTLC1TMIGD3CCNE1
SCHEMBL15828627 0.77 TNKS (0.45) ALDH1A2ALDH1A3SPTLC1TMIGD3CCNE1
SCHEMBL25527594 0.74 L3MBTL1 (0.59) L3MBTL1
SCHEMBL25749124 0.74 L3MBTL1 (0.42) L3MBTL1
SCHEMBL20125020 0.73 L3MBTL1 (0.41) L3MBTL1
SCHEMBL20125017 0.73 L3MBTL1 (0.41) L3MBTL1
SCHEMBL24726637 0.72 ABL1 (0.38) ALDH1A2ALDH1A3CCNE1CDK2
SCHEMBL12144185 0.72 ABL1 (0.44)
SCHEMBL20801915 0.71 L3MBTL1 (0.39) L3MBTL1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL4672079 0.71 ALDH1A3 (0.54) ALDH1A2ALDH1A3CCNE1CDK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 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-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 METAP2 4569/4885ALDH1A2 3986/4885ALDH1A3 4158/4885

“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.