SCHEMBL543571

SCHEMBL543571

Cc1nc2c(CO)cccn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
JAK2 O60674 4/20 0.34
PDE10A Q9Y233 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AHR P35869 1/20 0.32
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL20605046 0.79 AHR (0.38) JAK2NR1I2HSD11B1MEN1KMT2A
SCHEMBL14007017 0.76 JAK2 (0.47) KDM4EJAK2PDE10AHSD17B10ALDH1A1
SCHEMBL16565475 0.74 AHR (0.54) KDM4EJAK2PDE10AHSD17B10ALDH1A1
SCHEMBL23840318 0.73 JAK2 (0.40) KDM4EJAK2HSD17B10ALDH1A1MAPT
SCHEMBL23642651 0.73 CYP11B2 (0.47) KDM4EJAK2PDE10AHSD17B10HSD11B1
SCHEMBL19659391 0.72 JAK2 (0.53) KDM4EJAK2HSD17B10ALDH1A1PTK2
SCHEMBL30485235 0.71 USP1 (0.47) JAK2DHODHPARP1
SCHEMBL24857423 0.70 KDM4E (0.35) KDM4EJAK2PDE10AHSD17B10ALDH1A1
SCHEMBL2315975 0.69 NPC1 (0.38) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL544288 0.69 KDM4E (0.41) KDM4EHSD17B10ALDH1A1PDCD1CD274

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 KDM4E 2179/4885JAK2 236/4885PDE10A 3070/4885

“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.