SCHEMBL2231099

SCHEMBL2231099

COc1ccc(-c2ccc3cnccc3c2)c2cc(C(F)(F)F)nn12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.53
PDE3A Q14432 7/20 0.52
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL2459931 0.83 PDE4B (0.44) PDE4BPDE3A
SCHEMBL2231876 0.83 PDE4B (0.48) PDE4BPDE3ACYP11B1CYP11B2
SCHEMBL2231104 0.82 PDE4B (0.57) PDE4BPDE3A
SCHEMBL2233472 0.81 PDE4B (0.47) PDE4BPDE3ACYP11B1CYP11B2
SCHEMBL2232767 0.81 PDE4B (0.51) PDE4BPDE3ACYP11B1CYP11B2
SCHEMBL2229410 0.80 PDE4B (0.46) PDE4BPDE3A
SCHEMBL2171427 0.79 PDE4B (0.52) PDE4BPDE3A
SCHEMBL2172993 0.78 PDE4B (0.53) PDE4BPDE3A
SCHEMBL2232652 0.78 CYP11B1 (0.39) PDE4BPDE3ACYP11B1CYP11B2
SCHEMBL2171091 0.77 PDE4B (0.54) 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 6 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 claimed
EP-2351748-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-08-03 EP claimed
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.