SCHEMBL634992

SCHEMBL634992

CN(C)CCn1cc(C(=O)O)c2nc3ccccc3cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.47
TOP2A P11388 2/20 0.46
UHRF1 Q96T88 1/20 0.45
CNR2 P34972 1/20 0.44
POLR1A O95602 7/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
ECE1 P42892 1/20 0.41
MUS81 Q96NY9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MTOR P42345 1/20 0.39

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
SCHEMBL5823899 0.87 BRD4 (0.46) RAD52ALDH1A1KDM4ERXFP1
SCHEMBL635319 0.86 RAD52 (0.63) RAD52UHRF1POLR1AALDH1A1CYP1A2
SCHEMBL632020 0.85 CNR2 (0.39) RAD52CNR2POLR1AALDH1A1CYP1A2
SCHEMBL634185 0.83 KDM4E (0.46) RAD52ALDH1A1KDM4ERXFP1
SCHEMBL634993 0.78 TSHR (0.41) RAD52TOP2AUHRF1POLR1AALDH1A1
SCHEMBL635676 0.78 KDM4E (0.37) CNR2POLR1AALDH1A1KDM4E
SCHEMBL634175 0.76 RAD52 (0.64) RAD52UHRF1POLR1AALDH1A1CYP1A2
SCHEMBL634012 0.74 KDM4E (0.40) CNR2ALDH1A1KDM4E
SCHEMBL634104 0.73 POLR1A (0.50) RAD52UHRF1POLR1AALDH1A1CYP1A2
SCHEMBL27624959 0.72 RAD52 (0.72) RAD52UHRF1POLR1AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 US claimed
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 RAD52 2694/4885TOP2A 104/4885UHRF1 1983/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI RAD52 2746/4885TOP2A 107/4885UHRF1 1913/4885

“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.