SCHEMBL6786301

SCHEMBL6786301

Fc1ncc2ncn(OCC3CCCC3)c2n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KCNN4 O15554 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL6792082 0.99 MAOA (0.33) MAOAMAOBAXLTYRO3MERTK
SCHEMBL6791016 0.75 YTHDC1 (0.44) LMNATSHRHTTNPSR1
SCHEMBL23752527 0.71 CCNA2 (0.50) MAOAMAOBTSHR
SCHEMBL6790176 0.70 CDK2 (0.40)
SCHEMBL28275388 0.66 ADORA2A (0.38) MAOAMAOBAXLTYRO3MERTK
SCHEMBL27689191 0.62 RPS6KA5 (0.33)
SCHEMBL9251888 0.62 LMNA (0.47) LMNATSHRHTTNPSR1
SCHEMBL6786300 0.60 KDM4C (0.43) KDM4C
SCHEMBL6792080 0.59 KDM4C (0.44) KDM4C
SCHEMBL28160624 0.59 KDM4E (0.41) MAOAMAOBTSHRNPSR1

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 MAOA 1345/4885MAOB 1269/4885AXL 1048/4885

“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.