SCHEMBL634104

SCHEMBL634104

Cc1cccc2cc3c(=O)n(CCN(C)C)cc(C(=O)NCCN(C)C)c3nc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 5/20 0.50
ECE1 P42892 1/20 0.50
MUS81 Q96NY9 1/20 0.50
AOX1 Q06278 1/20 0.50
RAD52 P43351 6/20 0.48
KCNH2 Q12809 2/20 0.47
CYP1A2 P05177 1/20 0.47
UHRF1 Q96T88 1/20 0.47
PARP1 P09874 1/20 0.46
SMARCA2 P51531 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL634412 0.95 POLR1A (0.48) POLR1AECE1MUS81AOX1RAD52
SCHEMBL634304 0.93 POLR1A (0.47) POLR1AECE1MUS81AOX1RAD52
SCHEMBL635572 0.93 RAD52 (0.48) POLR1AECE1MUS81AOX1RAD52
SCHEMBL31125271 0.93 RAD52 (0.48) POLR1AECE1MUS81AOX1RAD52
SCHEMBL634698 0.91 POLR1A (0.45) POLR1AECE1MUS81AOX1RAD52
SCHEMBL634092 0.91 RAD52 (0.49) POLR1AECE1MUS81AOX1RAD52
SCHEMBL30122373 0.91 RAD52 (0.49) POLR1AECE1MUS81AOX1RAD52
SCHEMBL30122363 0.91 RAD52 (0.49) POLR1AECE1MUS81AOX1RAD52
SCHEMBL634314 0.90 RAD52 (0.45) POLR1AECE1MUS81AOX1RAD52
SCHEMBL634267 0.89 TNF (0.45) POLR1AECE1MUS81AOX1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 US disclosed
US-7504507-B2 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2009-03-17 US disclosed
US-20050245561-A1 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-03 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 (2 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-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES MKI67, MCL1, CCNI POLR1A 833/4885ECE1 956/4885MUS81 3342/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI POLR1A 791/4885ECE1 1068/4885MUS81 3280/4885

“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.