SCHEMBL4582113

SCHEMBL4582113

COc1cc(Nc2ccc(C#N)c(NC3CCSCC3)c2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.42
SRC P12931 5/20 0.39
GAK O14976 3/20 0.39
EGFR P00533 2/20 0.39
RIPK2 O43353 2/20 0.38
COQ8A Q8NI60 2/20 0.38
NLK Q9UBE8 2/20 0.38
NUAK1 O60285 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ABL1 P00519 1/20 0.36
ABL2 P42684 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHB4 P54760 1/20 0.35
IGF1R P08069 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
SCHEMBL4580964 0.87 TBK1 (0.51) TBK1SRCGAKEGFRRIPK2
SCHEMBL4581125 0.87 SRC (0.41) TBK1SRCGAKEGFRRIPK2
SCHEMBL4578991 0.81 SRC (0.40) TBK1SRCNUAK1ABL1ABL2
SCHEMBL4581538 0.79 MAPK9 (0.47) SRCABL1MEN1KMT2AIGF1R
SCHEMBL4581544 0.71 PRKCQ (0.42) TBK1EGFRALDH1A1
SCHEMBL4581874 0.71 SRC (0.42) SRCGAKEGFRRIPK2COQ8A
SCHEMBL4581296 0.69 TBK1 (0.42) TBK1KMT2AALDH1A1
SCHEMBL4582342 0.69 TUBB4A (0.41) KMT2AALDH1A1
SCHEMBL4580030 0.68 PRKCQ (0.38) KMT2AALDH1A1
SCHEMBL4582350 0.67 AR (0.41) TBK1MEN1KMT2A

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 TBK1 2196/4885SRC 1098/4885GAK 1764/4885

“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.