SCHEMBL20107531

SCHEMBL20107531

COc1nc(C)cnc1C=N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.33
EDNRA P25101 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1474575 0.82 KCNJ1 (0.38) CCR4EDNRACYP1A2CYP2C9CYP2C19
SCHEMBL19456627 0.78 CCR4 (0.32) CCR4EDNRA
SCHEMBL15233567 0.74 CCR4 (0.38) CCR4EDNRA
SCHEMBL1476090 0.73 CCR4 (0.36) CCR4EDNRA
SCHEMBL4497174 0.73 CCR4 (0.37) CCR4EDNRACYP1A2CYP2C19
SCHEMBL31538061 0.73 CCR4 (0.37) CCR4EDNRACYP1A2CYP2C19
SCHEMBL10304973 0.71 EDNRA (0.43) CCR4EDNRA
SCHEMBL91464 0.69 LMNA (0.36) CCR4EDNRA
SCHEMBL20399659 0.69 CCR4 (0.35) CCR4EDNRA
SCHEMBL5793716 0.69 CCR4 (0.35) CCR4EDNRA

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
US-20210238182-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2021-08-05 US disclosed
WO-2018078042-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES H. LUNDBECK A/S (DK) 2018-05-03 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-20210238182-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS PDE12, PDE4A, PDE5A CCR4 4181/4885EDNRA 2943/4885CYP1A2 136/4885

“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.