SCHEMBL2231876

SCHEMBL2231876

COc1ccc(-c2ccc3cnccc3c2)c2cc(C3CC3)nn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.48
PDE3A Q14432 3/20 0.48
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABL1 P00519 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
TDO2 P48775 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 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
SCHEMBL2231099 0.83 PDE4B (0.53) PDE4BPDE3ACYP11B1CYP11B2
SCHEMBL2233472 0.81 PDE4B (0.47) PDE4BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL2173651 0.78 PDE4B (0.53) PDE4BPDE3AABL1KDRMAPK14
SCHEMBL2171909 0.74 PDE4B (0.54) PDE4BPDE3A
SCHEMBL7945713 0.70 PDE4B (0.53) PDE4BPDE3A
SCHEMBL2232652 0.69 CYP11B1 (0.39) PDE4BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL2172477 0.69 PDE4B (0.53) PDE4BPDE3A
SCHEMBL4133638 0.68 PDE4B (0.68) PDE4BPDE3AAKT1
SCHEMBL4127890 0.66 PDE4B (0.50) PDE4BPDE3A
SCHEMBL3215624 0.66 PDE4B (0.50) PDE4BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
EP-2351748-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-08-03 EP 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-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A PDE4B 9/4885PDE3A 3/4885CYP11B1 170/4885

“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.