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SCHEMBL2230894

SCHEMBL2230894

COc1ccc(-c2ccc3cnccc3c2)n2c(Cl)c(C(F)(F)F)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.38
▸ CYP11B2 P19099 6/20 0.38
▸ CYP19A1 P11511 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP3A4 P08684 7/20 0.34
▸ LRRK2 Q5S007 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ UTRN P46939 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ PDE6D O43924 2/20 0.33
▸ PDE6A P16499 2/20 0.33
▸ PDE6G P18545 2/20 0.33
▸ PDE6B P35913 2/20 0.33
▸ PDE6C P51160 2/20 0.33
▸ PDE6H Q13956 2/20 0.33
▸ PDE10A Q9Y233 2/20 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
SCHEMBL2231278 0.83 ALOX15 (0.36) —
SCHEMBL2170634 0.80 LMNA (0.39) KDM4ELRRK2KCNH2
SCHEMBL2217605 0.74 LRRK2 (0.34) KDM4ELRRK2KCNH2
SCHEMBL2171332 0.71 ENPP3 (0.37) KDM4EPDE2APDE10A
SCHEMBL2232652 0.67 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL7283560 0.63 CYP11B2 (0.61) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2
SCHEMBL2170974 0.63 F11 (0.36) —
SCHEMBL24252955 0.63 ABL1 (0.52) CYP11B1CYP11B2CYP19A1KDM4ECYP3A4
SCHEMBL30451948 0.63 ABL1 (0.52) CYP11B1CYP11B2CYP19A1KDM4ECYP3A4
SCHEMBL12766183 0.62 PRKCZ (0.49) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2

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 CYP11B1 170/4885CYP11B2 121/4885CYP19A1 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.