Sugi Predict

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SCHEMBL2232652

SCHEMBL2232652

COc1ccc(-c2ccc3cnccc3c2)c2c(Cl)c(C(F)(F)F)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.39
▸ CYP11B2 P19099 5/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PDE4B Q07343 10/20 0.36
▸ CYP17A1 P05093 1/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ HIF1A Q16665 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
SCHEMBL2232273 0.85 PDE4B (0.41) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL2232198 0.84 ALOX15 (0.35) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL2172816 0.79 PDE4B (0.35) PDE4BPDE3A
SCHEMBL2171854 0.79 F11 (0.36) PDE4BPDE3A
SCHEMBL2231099 0.78 PDE4B (0.53) CYP11B1CYP11B2PDE4BPDE3A
SCHEMBL12436151 0.74 HSD17B1 (0.42) PDE4BPDE3A
SCHEMBL12436146 0.73 CYP1A2 (0.41) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL2216527 0.73 PRMT5 (0.35) PDE4BPDE3AENPP3ENPP1
SCHEMBL12436144 0.73 PDE4B (0.33) PDE4BPDE3A
SCHEMBL2216271 0.73 MEN1 (0.39) 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 CYP11B1 170/4885CYP11B2 121/4885CYP3A4 494/4885

“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.