SCHEMBL2235346

SCHEMBL2235346

COc1ccc(-c2ccc3cnccc3c2)c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.47
CYP11B1 P15538 8/20 0.47
CYP19A1 P11511 3/20 0.47
TDO2 P48775 2/20 0.46
DYRK1A Q13627 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2B6 P20813 1/20 0.44
GLO1 Q04760 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
NPC1 O15118 1/20 0.42
CYP17A1 P05093 2/20 0.42
CKS1B P61024 2/20 0.41
SKP2 Q13309 2/20 0.41

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
SCHEMBL12566143 0.79 GLO1 (0.55) GLO1PDE4APDE4BPDE4CPDE4D
SCHEMBL2172288 0.78 GLO1 (0.43) CYP11B2CYP11B1CYP19A1DYRK1AGLO1
SCHEMBL8041159 0.76 CKS1B (0.52) GLO1PDE4APDE4BPDE4CPDE4D
SCHEMBL2171957 0.74 GLO1 (0.43) DYRK1AGLO1PDE4APDE4BPDE4C
SCHEMBL2170629 0.74 DYRK1A (0.44) CYP11B2CYP11B1CYP19A1DYRK1ACYP1A2
SCHEMBL24894124 0.73 COMT (0.46) TDO2GLO1PDE4APDE4BPDE4C
SCHEMBL15730179 0.72 ABL1 (0.51) CYP11B2CYP11B1CYP19A1TDO2DYRK1A
SCHEMBL5428014 0.71 NQO1 (0.60) CYP11B2CYP11B1CYP1A2CYP3A4CYP2D6
SCHEMBL12501182 0.70 TDO2 (0.69) TDO2DYRK1APRKCI
SCHEMBL1506959 0.70 HTR1A (0.53) PDE4APDE4BPDE4CPDE4DNPC1

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 CYP11B2 121/4885CYP11B1 170/4885CYP19A1 227/4885

“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.