SCHEMBL7655130

SCHEMBL7655130

N#Cc1ccc2[nH]c(CCN)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.50
UBE2N P61088 1/20 0.50
IDO1 P14902 1/20 0.50
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCARB1 Q8WTV0 1/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
POLB P06746 1/20 0.39
PIN1 Q13526 1/20 0.38
MAPK10 P53779 3/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38

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
SCHEMBL7655135 0.88 RAD52 (0.61) RAD52UBE2NIDO1GRIN1GRIN2B
SCHEMBL4889180 0.88 CACNA1H (0.46) GRIN1GRIN2BSCARB1IMPDH2IMPDH1
SCHEMBL9063730 0.84 GRIN1 (0.51) GRIN1GRIN2BPKMIMPDH2IMPDH1
SCHEMBL485969 0.81 GRIN1 (0.43) GRIN1GRIN2BMEN1KMT2AKDM4E
SCHEMBL7653718 0.81 TDP1 (0.47) GRIN1GRIN2BMEN1KMT2ATDP1
SCHEMBL3391736 0.81 GRIN1 (0.43) GRIN1GRIN2BMEN1KMT2ASCARB1
SCHEMBL7765425 0.81 DDAH1 (0.53) GRIN1GRIN2BMEN1KMT2AIMPDH2
SCHEMBL1797897 0.81 SCARB1 (0.41) GRIN1GRIN2BMEN1KMT2ASCARB1
SCHEMBL7653326 0.81 GRIN1 (0.42) GRIN1GRIN2BMAPTMEN1KMT2A
SCHEMBL11303548 0.81 POLB (0.46) MAPTPKMMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399642-B2 TRIS BENZIMIDAZOLES; FUNGICIDES, ANTICARCINOGENIC AGENTS, ENZYME INHIBITOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-06-04 US disclosed
US-20010009919-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-07-26 US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 US disclosed
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 EP disclosed
US-6063801-A Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-05-16 US disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 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-20010009919-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B RAD52 278/4885UBE2N 3569/4885IDO1 2353/4885

“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.