SCHEMBL4580932

SCHEMBL4580932

COCCNc1cc(Nc2cc(OC)c(OC)c(OC)c2)ncc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 3/20 0.53
MAPK10 P53779 2/20 0.53
DYRK1A Q13627 2/20 0.49
JAK3 P52333 13/20 0.49
JAK2 O60674 10/20 0.49
TYK2 P29597 10/20 0.49
JAK1 P23458 9/20 0.49
IRAK4 Q9NWZ3 3/20 0.49
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
SYK P43405 2/20 0.43
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
DCLK1 O15075 1/20 0.42
CHUK O15111 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL2693625 0.83 JAK3 (0.74) MAPK9MAPK10JAK3JAK2TYK2
SCHEMBL4579455 0.79 DYRK1A (0.66) DYRK1ASRC
SCHEMBL31208500 0.78 HCAR3 (0.49) JAK3JAK2TYK2JAK1SYK
SCHEMBL2479839 0.76 JAK3 (0.58) JAK3JAK2TYK2JAK1IRAK4
SCHEMBL2695782 0.74 JAK3 (0.74) MAPK9MAPK10JAK3JAK2TYK2
SCHEMBL4581333 0.73 MAPK10 (0.39) MAPK9MAPK10DYRK1AJAK3JAK2
SCHEMBL2713949 0.73 JAK3 (0.53) JAK3JAK2TYK2JAK1IRAK4
SCHEMBL12321864 0.72 JAK3 (0.73) JAK3JAK2TYK2JAK1IRAK4
SCHEMBL4581579 0.72 ALDH1A1 (0.42) MAPK9MAPK10MAPK1
SCHEMBL16331603 0.71 DYRK1A (0.44) DYRK1ABRAFPRKD3ABL1PRKCG

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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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 MAPK9 3008/4885MAPK10 3262/4885DYRK1A 2145/4885

“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.