SCHEMBL544308

SCHEMBL544308

CCOC(=O)C1CC1c1cccc2nc(C)nn12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
TSHR P16473 2/20 0.37
JAK1 P23458 1/20 0.37
HSD17B10 Q99714 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 1/20 0.36
CXCR2 P25025 1/20 0.36
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAP3K5 Q99683 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL543881 0.80 GAA (0.43) TSHRHSD17B10GAAMAPTPKM
SCHEMBL543490 0.75 GAA (0.40) TSHRHSD17B10GAAMAPTTP53
SCHEMBL543625 0.74 MTNR1B (0.43) JAK1EGLN2
SCHEMBL543147 0.73 TSHR (0.39) TSHRJAK1MAPTPKMCXCR2
SCHEMBL544278 0.73 HTR2C (0.41) EGLN2
SCHEMBL29302285 0.72 KDM4E (0.52) TSHRHSD17B10GAAMAPTPKM
SCHEMBL29788964 0.71 TBXAS1 (0.40) TSHRGAAMAPTPKMALDH1A1
SCHEMBL28903860 0.71 TBXAS1 (0.40) TSHRGAAMAPTPKMALDH1A1
SCHEMBL31312495 0.70 ADORA3 (0.46) PDE4ATSHRJAK1GAACYP1A2
SCHEMBL17254603 0.70 ALDH1A1 (0.49) TSHRHSD17B10GAACYP1A2ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH PDE4A 4166/4885TSHR 667/4885JAK1 1164/4885

“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.