SCHEMBL3273477

SCHEMBL3273477

NC(=O)n1cnc2c(Cl)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
P2RX7 Q99572 2/20 0.47
FDPS P14324 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
FGFR1 P11362 9/20 0.42
FGFR4 P22455 9/20 0.42
DGAT1 O75907 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TYMP P19971 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2346678 0.81 GSK3B (0.67) GSK3BALDH1A1
Hydrochloric Acid SCHEMBL29003046 0.79 GSK3B (0.65) GSK3BALDH1A1
SCHEMBL30449152 0.79 GSK3B (0.52) GSK3BP2RX7FDPSHDAC6FGFR1
SCHEMBL4797785 0.78 HDAC6 (0.47) HDAC6
SCHEMBL5106770 0.75 P2RX7 (0.41) GSK3BP2RX7FDPSHDAC6FGFR1
SCHEMBL1868819 0.72 FDPS (0.44) P2RX7FDPSHDAC6FGFR1FGFR4
SCHEMBL9073828 0.71 FDPS (0.42) GSK3BP2RX7FDPSHDAC6FGFR1
SCHEMBL17802570 0.71 CFTR (0.61) P2RX7FDPSHDAC6FGFR1FGFR4
SCHEMBL5281840 0.71 FDPS (0.45) P2RX7FDPSHDAC6FGFR1FGFR4
SCHEMBL23885424 0.70 P2RX7 (0.66) P2RX7FDPSHDAC6FGFR1FGFR4

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
EP-2137202-B1 PROCESS FOR THE SYNTHESIS OF IB-MECA CAN-FITE BIOPHARMA LTD (IL) 2017-06-21 EP disclosed
US-9102698-B2 Process for the synthesis of IB-MECA CAN-FITE BIOPHARMA LTD. (IL) 2015-08-11 US disclosed
US-20100087636-A1 PROCESS FOR THE SYNTHESIS OF IB-MECA CAN-FITE BIOPHARMA LTD. (IL) 2010-04-08 US disclosed
EP-2137202-A1 PROCESS FOR THE SYNTHESIS OF IB-MECA Can-Fite Biopharma Ltd. (IL) 2009-12-30 EP disclosed
WO-2008111082-A1 PROCESS FOR THE SYNTHESIS OF IB-MECA CAN-FITE BIOPHARMA LTD. (IL) 2008-09-18 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-20100087636-A1 PROCESS FOR THE SYNTHESIS OF IB-MECA ITPA, UMPS, CDA GSK3B 3679/4885P2RX7 1756/4885FDPS 718/4885

“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.