SCHEMBL4757631

SCHEMBL4757631

Cn1cc(NC(=O)c2cc(N)cn2C)cc1C(=O)NCCN

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRAS P01112 13/20 0.55
ESR1 P03372 13/20 0.55
ESR2 Q92731 13/20 0.55
TOP1 P11387 2/20 0.55
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
JAK2 O60674 1/20 0.37
FLT3 P36888 1/20 0.37
SYK P43405 1/20 0.37
PKM P14618 1/20 0.36
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL19493847 1.00 HRAS (0.55) HRASESR1ESR2TOP1KDM4E
SCHEMBL27281879 0.88 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL27271674 0.88 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL27277513 0.88 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL27275903 0.88 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL27272389 0.88 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL16469479 0.87 HRAS (0.61) HRASESR1ESR2TOP1KDM4E
SCHEMBL14003305 0.87 HRAS (0.53) HRASESR1ESR2TOP1KDM4E
SCHEMBL19636867 0.87 HRAS (0.53) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6497712 0.86 KDM4E (0.59) HRASESR1ESR2TOP1KDM4E

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-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2007-11-15 US disclosed
EP-1678133-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES University of Western Sydney (AU) 2006-07-12 EP disclosed
WO-2005033077-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIVERSITY OF WESTERN SYDNEY (AU) 2005-04-14 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-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes POLRMT, MPI, PPIF HRAS 4085/4885ESR1 4603/4885ESR2 4820/4885

“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.