SCHEMBL2233472

SCHEMBL2233472

CCc1cc2c(-c3ccc4cnccc4c3)ccc(OC)n2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.47
PDE3A Q14432 7/20 0.47
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
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
TDO2 P48775 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
AR P10275 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
SCHEMBL2231876 0.81 PDE4B (0.48) PDE4BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL2231099 0.81 PDE4B (0.53) PDE4BPDE3ACYP11B1CYP11B2
SCHEMBL2171784 0.78 PDE4B (0.53) PDE4BPDE3A
SCHEMBL2232652 0.70 CYP11B1 (0.39) PDE4BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL2170752 0.69 PDE4B (0.52) PDE4BPDE3A
SCHEMBL3217750 0.67 PDE4B (0.50) PDE4BPDE3A
SCHEMBL2959745 0.66 PDE4B (0.52) PDE4BPDE3A
SCHEMBL7283560 0.65 CYP11B2 (0.61) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL2960864 0.65 PDE4B (0.63) PDE4BPDE3A
SCHEMBL22826685 0.65 TDO2 (0.42) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6

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.