SCHEMBL21138178

SCHEMBL21138178

COC(=O)C1CCCC(Nc2ncnc(Cl)c2N)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.41
BTK Q06187 8/20 0.40
CD38 P28907 1/20 0.38
WDR5 P61964 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK8 P45983 5/20 0.37
KCNH2 Q12809 1/20 0.36
MAPK3 P27361 1/20 0.35
MAPK9 P45984 4/20 0.35
LMNA P02545 1/20 0.35
JAK3 P52333 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
SCHEMBL29740638 0.86 IRAK1 (0.41) IRAK1BTKCD38MAPK8KCNH2
SCHEMBL14165965 0.86 IRAK1 (0.41) IRAK1BTKCD38MAPK8KCNH2
SCHEMBL14165369 0.86 IRAK1 (0.41) IRAK1BTKCD38MAPK8KCNH2
SCHEMBL14165368 0.86 IRAK1 (0.41) IRAK1BTKCD38MAPK8KCNH2
SCHEMBL14165782 0.86 IRAK1 (0.41) IRAK1BTKCD38MAPK8KCNH2
SCHEMBL14165818 0.86 IRAK1 (0.41) IRAK1BTKCD38MAPK8KCNH2
SCHEMBL21138338 0.80 HPGDS (0.47) KMT2ALMNA
SCHEMBL30808262 0.80 HPGDS (0.47) KMT2ALMNA
SCHEMBL21138216 0.80 MAPK8 (0.44) BTKMAPK8MAPK9LMNA
SCHEMBL20033584 0.79 BTK (0.47) IRAK1BTKMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A IRAK1 3723/4885BTK 1207/4885CD38 1096/4885

“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.