SCHEMBL6428071

SCHEMBL6428071

CCN1CCCC1CN(c1ccc(OC)c(Cl)c1)c1nc(N)nc(NCn2ccnc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.35
POLB P06746 1/20 0.33
DRD3 P35462 3/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
CA9 Q16790 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL6863418 0.84 CYP19A1 (0.41) POLBSMN1; SMN2
SCHEMBL6427795 0.83 DRD2 (0.36) DRD2SMN1; SMN2MAPTLMNA
SCHEMBL4831972 0.78 DRD2 (0.42) DRD2MAPTLMNA
SCHEMBL6428048 0.77 DRD2 (0.34) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6233028 0.77 CYP19A1 (0.41) SMN1; SMN2
SCHEMBL5553593 0.77 DRD2 (0.38) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6428076 0.77 POLB (0.33) POLBSMN1; SMN2
SCHEMBL5036468 0.77 TSHR (0.36) LMNATSHR
SCHEMBL5554025 0.77 GALR1 (0.38) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL5555726 0.76 DRD2 (0.34) DRD2POLBDRD3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 DRD2 4763/4885POLB 3982/4885DRD3 4742/4885

“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.