SCHEMBL4586663

SCHEMBL4586663

Cc1ccc2cc(Br)c3ccc(C)nc3c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.60
RAB9A P51151 1/20 0.60
CCR5 P51681 1/20 0.60
METAP2 P50579 1/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.40
OPRK1 P41145 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
GLO1 Q04760 1/20 0.38
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.36
PTPN1 P18031 1/20 0.36
NFKBIA P25963 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL26130986 0.92 CCR1 (0.60) CCR1RAB9ACCR5METAP2MAPT
SCHEMBL31191929 0.92 CCR1 (0.60) CCR1RAB9ACCR5METAP2MAPT
SCHEMBL460366 0.83 CCR1 (0.44) CCR1RAB9ACCR5MAPTKMT2A
SCHEMBL3225066 0.79 CCR1 (0.58) CCR1RAB9ACCR5METAP2MAPT
SCHEMBL16690878 0.78 CCR1 (0.62) CCR1RAB9ACCR5METAP2MAPT
Neocuproine SCHEMBL29367091 0.78 CCR1 (1.00) CCR1RAB9ACCR5METAP2MAPT
Neocuproine SCHEMBL29639703 0.78 CCR1 (1.00) CCR1RAB9ACCR5METAP2MAPT
Neocuproine SCHEMBL124563 0.78 CCR1 (1.00) CCR1RAB9ACCR5METAP2MAPT
Neocuproine SCHEMBL11672280 0.78 CCR1 (1.00) CCR1RAB9ACCR5METAP2MAPT
Broquinaldol SCHEMBL2110667 0.77 MAPT (0.54) CCR1RAB9ACCR5METAP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018211148-A1 BISQUINOLIUM DERIVATIVES FOR PREVENTING OR TREATING EBV-RELATED CANCERS UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2018-11-22 WO disclosed
US-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-08-28 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 (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-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF TTI1, TTI2, TCOF1 CCR1 2095/4885RAB9A 1064/4885CCR5 3407/4885

“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.