SCHEMBL6791015

SCHEMBL6791015

Fc1ncc2[nH]c(CC3CCCCC3)nc2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.42
PDE9A O76083 5/20 0.40
AAK1 Q2M2I8 1/20 0.39
PDE1C Q14123 1/20 0.37
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
IDO1 P14902 2/20 0.36
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
GSK3B P49841 1/20 0.35
CACNA1H O95180 2/20 0.35
LMNA P02545 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
UTS2R Q9UKP6 1/20 0.33
CACNA1G O43497 1/20 0.33
ADORA1 P30542 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
SCHEMBL6792080 0.79 KDM4C (0.44)
SCHEMBL6786300 0.77 KDM4C (0.43)
SCHEMBL4051351 0.71 PDE9A (0.42) DGAT2PDE9AAAK1PDE1CHTR3A
SCHEMBL21033908 0.70 AAK1 (0.53) PDE9AAAK1IDO1CACNA1HCACNA1G
SCHEMBL29543204 0.70 DGAT2 (0.43) DGAT2PDE9AAAK1IDO1CACNA1H
SCHEMBL4040136 0.69 AAK1 (0.43) DGAT2PDE9AAAK1PDE1CHTR3A
SCHEMBL6759257 0.69 IDO1 (0.68) AAK1HRH4IDO1LMNA
SCHEMBL4111972 0.67 IDO1 (0.70) AAK1HRH4IDO1LMNA
SCHEMBL4048041 0.66 PBK (0.40) DGAT2PDE9AAAK1PDE1CIDO1
SCHEMBL8628385 0.66 AAK1 (0.59) PDE9AAAK1HTR3AHRH4IDO1

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 DGAT2 4124/4885PDE9A 3158/4885AAK1 303/4885

“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.