SCHEMBL6791016

SCHEMBL6791016

Fc1ncc2ncn(CC3CCCCC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 2/20 0.44
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 2/20 0.39
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2B6 P20813 1/20 0.36
NAMPT P43490 1/20 0.36
PDE1C Q14123 3/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM1 Q13255 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6792082 0.77 MAOA (0.33) NPSR1LMNATSHRHTT
SCHEMBL28214705 0.77 YTHDC1 (0.42) YTHDC1NPSR1LMNATSHRHTT
SCHEMBL6786301 0.75 MAOA (0.32) NPSR1LMNATSHRHTT
SCHEMBL16972828 0.75 YTHDC1 (0.47) YTHDC1GABRG2GABRB3GABRA5CYP11B2
SCHEMBL4961034 0.75 HDAC6 (0.45) YTHDC1GABRG2GABRB3GABRA5CYP11B2
SCHEMBL6786424 0.69 GABRG2 (0.47) YTHDC1GABRG2GABRB3GABRA5CYP1A2
SCHEMBL4064570 0.69 MERTK (0.39) GABRG2GABRB3GABRA5KDM4EALDH1A1
SCHEMBL4064578 0.69 MERTK (0.39) GABRG2GABRB3GABRA5KDM4EALDH1A1
SCHEMBL18226836 0.69 YTHDC1 (0.39) YTHDC1GABRG2GABRB3GABRA5GRIN2B
SCHEMBL3657324 0.68 CYP11B1 (0.51) YTHDC1CYP11B2

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-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US disclosed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP disclosed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 WO 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-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CCNA1, CDKL1, CCNK YTHDC1 2783/4885NPSR1 2653/4885LMNA 345/4885

“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.