SCHEMBL5264584

SCHEMBL5264584

Cc1ccc2nccc(N)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.45
CCR1 P32246 1/20 0.43
RAB9A P51151 1/20 0.43
CCR5 P51681 1/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
MAP4K4 O95819 2/20 0.40
NCF1 P14598 1/20 0.39
NR4A2 P43354 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.35
SOS2 Q07890 1/20 0.35
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34

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
SCHEMBL7519332 0.79 CCR1 (0.46) TGFBR1CCR1RAB9ACCR5KDM4E
SCHEMBL3375315 0.76 METAP2 (0.50) TGFBR1CCR1RAB9ACCR5KDM4E
SCHEMBL30625762 0.76 METAP2 (0.50) TGFBR1CCR1RAB9ACCR5KDM4E
SCHEMBL3372322 0.76 CCR1 (0.43) TGFBR1CCR1RAB9ACCR5KDM4E
SCHEMBL30509534 0.76 CCR1 (0.43) TGFBR1CCR1RAB9ACCR5KDM4E
SCHEMBL22715644 0.76 NR4A2 (0.47) TGFBR1KDM4ELMNACASP6NCF1
SCHEMBL5262547 0.76 NCF1 (0.39) KDM4ELMNACASP6MAP4K4NCF1
SCHEMBL590199 0.76 MAP4K4 (0.44) MAP4K4NCF1NR4A2NOS3NOS2
SCHEMBL18069379 0.76 NCF1 (0.36) RAB9AKDM4ELMNAMAP4K4NCF1
SCHEMBL7450461 0.75 CCR1 (0.65) TGFBR1CCR1RAB9ACCR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP claimed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US claimed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US claimed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP claimed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO claimed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 TGFBR1 3046/4885CCR1 1061/4885RAB9A 3249/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH TGFBR1 2684/4885CCR1 796/4885RAB9A 3495/4885

“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.