SCHEMBL2173568

SCHEMBL2173568

COc1ccc(-c2ccc3c(c2)CCC(=O)N3)c2c(Cl)c(C(F)(F)F)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.46
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
CYP1A2 P05177 2/20 0.43
CRBN Q96SW2 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
MMP12 P39900 1/20 0.37
RAB9A P51151 1/20 0.37
PDE3A Q14432 5/20 0.37
PDE3B Q13370 2/20 0.37
TBXAS1 P24557 1/20 0.37
MAP3K8 P41279 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL12513272 0.90 KIF11 (0.47) KIF11CYP11B1CYP11B2CYP1A2CRBN
SCHEMBL12436146 0.83 CYP1A2 (0.41) CYP11B1CYP11B2CYP1A2CYP2C9CYP2C19
SCHEMBL12436151 0.82 HSD17B1 (0.42) PDE3APDE4B
SCHEMBL2172407 0.81 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2PDE3APDE3B
SCHEMBL2171205 0.80 PDE4B (0.54) KIF11CYP11B1CYP11B2CYP1A2PDE3A
SCHEMBL12436144 0.77 PDE4B (0.33) PDE3APDE4B
SCHEMBL2171854 0.76 F11 (0.36) PDE3APDE4B
SCHEMBL2216527 0.75 PRMT5 (0.35) PDE3APDE4B
SCHEMBL2172816 0.74 PDE4B (0.35) PDE3APDE4B
SCHEMBL2232652 0.72 CYP11B1 (0.39) CYP11B1CYP11B2CYP1A2CYP2C9CYP2D6

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
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 WO 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B KIF11 4021/4885CYP11B1 89/4885CYP11B2 63/4885

“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.