SCHEMBL2459931

SCHEMBL2459931

CNc1ccc(-c2ccc3cnccc3c2)c2cc(C(F)(F)F)nn12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.44
ALOX15 P16050 2/20 0.37
TDO2 P48775 1/20 0.36
CDK2 P24941 5/20 0.35
AKT1 P31749 5/20 0.35
AR P10275 1/20 0.34
SGK1 O00141 1/20 0.34
PDE3A Q14432 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PRKCI P41743 1/20 0.33

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) PDE4BPDE3A
SCHEMBL2232198 0.79 ALOX15 (0.35) PDE4BALOX15TDO2CDK2AKT1
SCHEMBL2173257 0.78 PDE4B (0.40) PDE4BARPDE3A
SCHEMBL2171767 0.72 PARP10 (0.48) PDE4BPDE3A
SCHEMBL7947531 0.70 PDE4B (0.39) PDE4BPDE3A
SCHEMBL2170670 0.69 PDE4B (0.45) PDE4BPDE3A
SCHEMBL12334435 0.69 PDE4B (0.50) PDE4BPDE3A
SCHEMBL2170575 0.69 PDE4B (0.53) PDE4BPDE3A
SCHEMBL2231104 0.66 PDE4B (0.57) PDE4BPDE3A
SCHEMBL2231876 0.66 PDE4B (0.48) PDE4BTDO2AKT1ARPDE3A

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 3 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

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 9/4885ALOX15 3320/4885TDO2 1637/4885

“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.