SCHEMBL4070710

SCHEMBL4070710

c1nc2n(n1)CCCNC2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTT P42858 1/20 0.30
CXCR4 P61073 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
SCHEMBL166943 0.88
Hydrochloric Acid SCHEMBL3908377 0.86 KDM4E (0.34) HTT
Potassium SCHEMBL31514255 0.86 PDCD1 (0.33) HTT
Trifluoroacetic Acid SCHEMBL29693734 0.74 HRH4 (0.36)
SCHEMBL4073344 0.73
SCHEMBL4072814 0.71
SCHEMBL4075589 0.71 KDM4E (0.34) CHRNB2CHRNA4HTTCXCR4
SCHEMBL4066286 0.69
SCHEMBL4068518 0.69 CHRNB2 (0.32) CHRNB2CHRNA4CXCR4
SCHEMBL4067867 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 CHRNB2 2650/4885CHRNA4 2470/4885HTT 3033/4885

“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.