SCHEMBL4579729

SCHEMBL4579729

N#Cc1ccc(-c2ccc3n2CCCC3=O)cc1NC1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.38
PIM1 P11309 1/20 0.35
PRKCD Q05655 5/20 0.35
TBK1 Q9UHD2 6/20 0.34
CD38 P28907 1/20 0.34
HSP90AA1 P07900 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL14291889 0.84 HSP90AA1 (0.36) CD38HSP90AA1
SCHEMBL4581166 0.82 HSP90AA1 (0.46) HSP90AA1
SCHEMBL14177841 0.80 KCNJ1 (0.39) TBK1MEN1KMT2AL3MBTL1
SCHEMBL4580915 0.74 EGLN2 (0.48)
SCHEMBL12819925 0.73 PRKCQ (0.39) PRKCQPRKCDTBK1CD38
SCHEMBL4580882 0.72 HSP90AA1 (0.46) PRKCQPRKCDTBK1HSP90AA1
SCHEMBL14252710 0.71 PRKCQ (0.43) PRKCQPIM1PRKCDTBK1HSP90AA1
SCHEMBL3632098 0.71 PRKCQ (0.48) PRKCQPRKCDMEN1KMT2AL3MBTL1
SCHEMBL3632100 0.71 PRKCQ (0.48) PRKCQPRKCDMEN1KMT2AL3MBTL1
SCHEMBL4582583 0.71 PRKCQ (0.44) PRKCQPRKCDHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 PRKCQ 4593/4885PIM1 1374/4885PRKCD 4769/4885

“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.