SCHEMBL4581038

SCHEMBL4581038

Cc1nn(-c2ccc(C#N)c(NC3CCOCC3)c2)c(N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
TBK1 Q9UHD2 4/20 0.38
JAK2 O60674 3/20 0.38
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
TTK P33981 2/20 0.36
LMNA P02545 1/20 0.36
GRM2 Q14416 2/20 0.34
AR P10275 2/20 0.34
LRRK2 Q5S007 1/20 0.34
MAPK1 P28482 1/20 0.34
BRD4 O60885 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
SCHEMBL14291981 0.92 HSP90AA1 (0.43) HSP90AA1HSP90AB1TBK1JAK2PRKCQ
SCHEMBL14177807 0.80 MAPT (0.46) MAPTHTTLMNAAR
SCHEMBL4580224 0.78 HSP90AA1 (0.42) HSP90AA1HSP90AB1TBK1JAK2PRKCQ
SCHEMBL4581830 0.78 HSP90AA1 (0.41) HSP90AA1HSP90AB1TBK1JAK2PRKCQ
SCHEMBL14177799 0.74 MAPT (0.50) MAPTHTTLMNAAR
SCHEMBL421243 0.73 HSP90AA1 (0.62) HSP90AA1
SCHEMBL4581082 0.72 PRKCQ (0.40) TBK1JAK2PRKCQPRKCDIRAK4
SCHEMBL4581868 0.71 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL3628057 0.71 HSP90AB1 (0.65) HSP90AA1HSP90AB1
SCHEMBL3628058 0.71 HSP90AB1 (0.65) HSP90AA1HSP90AB1

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 HSP90AA1 2260/4885HSP90AB1 1548/4885TBK1 1717/4885

“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.