SCHEMBL634977

SCHEMBL634977

Cc1cccc2cc3c(=O)n(Cc4ccccn4)cc(C(=O)NCCN(C)C)c3nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
RAD52 P43351 3/20 0.44
POLR1A O95602 4/20 0.44
ECE1 P42892 1/20 0.44
MUS81 Q96NY9 1/20 0.44
UHRF1 Q96T88 1/20 0.43
PIK3CD O00329 4/20 0.42
AOX1 Q06278 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CYP1A2 P05177 1/20 0.42
KCNH2 Q12809 1/20 0.42
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL634104 0.86 POLR1A (0.50) KDM4ERAD52POLR1AECE1MUS81
SCHEMBL31125271 0.86 RAD52 (0.48) KDM4ERAD52POLR1AECE1MUS81
SCHEMBL635572 0.86 RAD52 (0.48) KDM4ERAD52POLR1AECE1MUS81
SCHEMBL635842 0.85 KDM4E (0.61) KDM4EPIK3CDPDE10ABRD4ALDH1A1
SCHEMBL634412 0.84 POLR1A (0.48) KDM4ERAD52POLR1AECE1MUS81
SCHEMBL634304 0.82 POLR1A (0.47) KDM4ERAD52POLR1AECE1MUS81
SCHEMBL634314 0.82 RAD52 (0.45) KDM4ERAD52POLR1AECE1MUS81
SCHEMBL634092 0.82 RAD52 (0.49) KDM4ERAD52POLR1AECE1MUS81
SCHEMBL30122373 0.82 RAD52 (0.49) KDM4ERAD52POLR1AECE1MUS81
SCHEMBL30122363 0.82 RAD52 (0.49) KDM4ERAD52POLR1AECE1MUS81

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 KDM4E 744/4885RAD52 2694/4885POLR1A 833/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI KDM4E 880/4885RAD52 2746/4885POLR1A 791/4885

“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.