SCHEMBL543707

SCHEMBL543707

Cc1nc2cccc(C(=O)O)n2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.47
TGFBR1 P36897 3/20 0.38
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TSHR P16473 2/20 0.36
NUDT1 P36639 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ALOX15 P16050 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL544040 0.82 EGLN2 (0.43) EGLN2KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL13218426 0.79 HDAC4 (0.37) TGFBR1HDAC4HDAC1HDAC7HDAC8
SCHEMBL25107715 0.77 EGLN2 (0.40) EGLN2NUDT1KDM4EALDH1A1GRM5
SCHEMBL258972 0.74 EGLN2 (0.50) EGLN2KDM4EPDE10ARAB9A
SCHEMBL2775808 0.73 EGLN2 (0.42) EGLN2HDAC4HDAC1HDAC7HDAC8
SCHEMBL3297721 0.73 JAK2 (0.51) RAB9AJAK2
SCHEMBL2775804 0.73 EGLN2 (0.42) EGLN2HDAC4HDAC1HDAC7HDAC8
SCHEMBL21807360 0.71 AHR (0.54) EGLN2TSHRNUDT1ALDH1A1TP53
SCHEMBL543601 0.71 EGLN2 (0.47) EGLN2NUDT1ALDH1A1TP53SMN1; SMN2
SCHEMBL544044 0.70 EGLN2 (0.48) EGLN2NUDT1KDM4EALDH1A1TP53

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-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-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

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 EGLN2 176/4885TGFBR1 3293/4885HDAC4 1239/4885

“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.