SCHEMBL543137

SCHEMBL543137

Cc1nc2c(C3CC3CO)cccn2n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 4/20 0.35
KDM4E B2RXH2 1/20 0.33
JAK1 P23458 2/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
JAK3 P52333 1/20 0.30

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
SCHEMBL543324 0.86 HTR2C (0.51) HTR2AHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL543772 0.81 MTNR1B (0.46) SLC6A4
SCHEMBL543649 0.79 MTNR1B (0.54)
SCHEMBL13511735 0.76 FFAR1 (0.37) JAK1
SCHEMBL543306 0.76 MTNR1A (0.34) HTR2AHTR2CHTR2BKDM4EIRAK4
SCHEMBL543307 0.76 MTNR1A (0.34) HTR2AHTR2CHTR2BKDM4EIRAK4
SCHEMBL543316 0.74 KDM4E (0.33) KDM4E
SCHEMBL543571 0.72 KDM4E (0.38) KDM4E
SCHEMBL14007017 0.69 JAK2 (0.47) KDM4EJAK3
SCHEMBL542447 0.68 EGLN2 (0.40) JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2A 66/4885HTR2C 14/4885HTR2B 52/4885

“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.