SCHEMBL4580296

SCHEMBL4580296

C#Cc1cccc(-c2ccc(C#N)c(NC3CCC(O)CC3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
PRKCQ Q04759 6/20 0.43
PRKCD Q05655 5/20 0.41
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
FABP5 Q01469 2/20 0.35
HSP90AA1 P07900 1/20 0.35
FABP7 O15540 1/20 0.35
FABP3 P05413 1/20 0.35
TBK1 Q9UHD2 4/20 0.35
CHUK O15111 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL4579724 0.81 PGR (0.50) PIM1PRKCQPRKCDCYP1A2CYP2C19
SCHEMBL4579578 0.80 HSP90AA1 (0.53) HSP90AA1
SCHEMBL4580882 0.79 HSP90AA1 (0.46) PRKCQPRKCDFABP5HSP90AA1FABP7
SCHEMBL4581168 0.79 NR1H2 (0.42) PIM1PRKCQPRKCDHSP90AA1
SCHEMBL4582583 0.78 PRKCQ (0.44) PRKCQPRKCDHSP90AA1CHUK
SCHEMBL4580648 0.76 PRKCQ (0.43) PRKCQPRKCDFABP5HSP90AA1FABP7
SCHEMBL14252710 0.76 PRKCQ (0.43) PIM1PRKCQPRKCDFABP5HSP90AA1
SCHEMBL4580711 0.75 HSP90AA1 (0.45) PRKCQPRKCDFABP5HSP90AA1FABP7
SCHEMBL4579980 0.75 KDM4E (0.48) PRKCQPRKCDCYP1A2CYP2C19HSD17B10
SCHEMBL4579571 0.74 KMT2A (0.45) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 PIM1 1919/4885PRKCQ 4430/4885PRKCD 4800/4885

“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.