SCHEMBL2170629

SCHEMBL2170629

COc1ccc(-c2ccc3c(=O)[nH]ccc3c2)c2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
CYP1A2 P05177 1/20 0.43
GRM4 Q14833 1/20 0.43
GLO1 Q04760 1/20 0.43
MAP3K11 Q16584 2/20 0.40
CTSB P07858 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
ACVR1 Q04771 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SCN9A Q15858 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HCRTR1 O43613 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2171957 0.91 GLO1 (0.43) DYRK1AGLO1MAP3K11CTSBACVR1
SCHEMBL2170605 0.81 PDE4B (0.53) MAP3K11PRKACAPRKACGPRKACBKMT2A
SCHEMBL2170616 0.81 BTK (0.42) DYRK1ACYP1A2ACVR1KMT2AMEN1
SCHEMBL2172288 0.79 GLO1 (0.43) DYRK1AGLO1CTSBCYP19A1CYP11B1
SCHEMBL2235346 0.74 CYP11B2 (0.47) DYRK1ACYP1A2GLO1CTSBCYP19A1
SCHEMBL2170836 0.74 PDE4B (0.52) MAP3K11KMT2AMEN1NPC1HCRTR1
SCHEMBL12566143 0.73 GLO1 (0.55) GLO1KMT2ASYK
SCHEMBL2170525 0.72 GRIA1 (0.49) CYP1A2GLO1CYP11B1CYP11B2BRD4
SCHEMBL8041159 0.72 CKS1B (0.52) GLO1KMT2AMEN1
SCHEMBL2171190 0.72 CYP11B1 (0.51) CYP1A2GLO1CYP19A1CYP11B1CYP11B2

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 DYRK1A 2598/4885CYP1A2 171/4885GRM4 4476/4885

“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.