SCHEMBL544040

SCHEMBL544040

COC(=O)c1cccc2nc(C)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38

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
SCHEMBL3297643 0.83 MAPT (0.40) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL3302106 0.83 JAK1 (0.52) EGLN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL25107715 0.82 EGLN2 (0.40) EGLN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL543707 0.82 EGLN2 (0.47) EGLN2ALDH1A1KDM4EJAK2TP53
SCHEMBL22971286 0.74 JAK1 (0.65) JAK2JAK1
SCHEMBL24371481 0.73 GAA (0.40) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL258972 0.70 EGLN2 (0.50) EGLN2KDM4ENPC1RAB9A
SCHEMBL10257434 0.68 CA12 (0.43) EGLN2ALDH1A1L3MBTL1CDK8NPC1
SCHEMBL24338808 0.68 HTR2A (0.43) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL24371449 0.68 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EHSD17B10MEN1

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 176/4885ALDH1A1 1431/4885HPGD 297/4885

“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.