SCHEMBL6016946

SCHEMBL6016946

CCN1CCCC1CN(c1ccc(OC)c(F)c1)c1nc(N)nc(NC2CCCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
PDE5A O76074 2/20 0.38
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD2 P14416 7/20 0.35
DRD3 P35462 3/20 0.35
BCL6 P41182 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CA2 P00918 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34

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
SCHEMBL6235105 0.90 SMN1; SMN2 (0.34) SMN1; SMN2PDE5ATSHRDRD2DRD3
SCHEMBL6607362 0.89 GALR1 (0.39) TSHRDRD2DRD3ADRA2BADRA2C
SCHEMBL5554025 0.88 GALR1 (0.38) TSHRDRD2DRD3ADRA2BADRA2C
SCHEMBL5553593 0.87 DRD2 (0.38) TSHRDRD2DRD3ADRA2BADRA2C
SCHEMBL6864393 0.86 DRD2 (0.41) TSHRDRD2DRD3ADRA2BADRA2C
SCHEMBL5412204 0.86 KDM4E (0.40) SMN1; SMN2TSHRKDM4EALDH1A1CYP3A4
SCHEMBL5556209 0.86 SMN1; SMN2 (0.52) SMN1; SMN2PDE5AKDM4EALDH1A1CYP3A4
SCHEMBL5553557 0.85 SMN1; SMN2 (0.37) SMN1; SMN2TSHRKDM4EALDH1A1TP53
SCHEMBL6231327 0.85 DRD2 (0.35) SMN1; SMN2TSHRALDH1A1DRD2DRD3
SCHEMBL6235512 0.85 SMN1; SMN2 (0.42) SMN1; SMN2PDE5ATSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US disclosed
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 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-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SMN1; SMN2 4172/4885PDE5A 1238/4885TSHR 2758/4885

“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.