SCHEMBL428279

SCHEMBL428279

CCCNc1nc(NCCN)nc(NCCN)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 3/20 0.48
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.43
AHR P35869 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
PKM P14618 1/20 0.39
RAD52 P43351 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 2/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37

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
SCHEMBL20375134 1.00 CYP1A2 (0.52) CYP1A2CYP2C19KMT2ACA1CA2
SCHEMBL19166663 0.92 CYP1A2 (0.46) CYP1A2CYP2C19KMT2ACA1CA2
SCHEMBL18680424 0.90 CYP1A2 (0.44) CYP1A2CYP2C19KMT2ACA1CA2
SCHEMBL430482 0.87 CXCR4 (0.40) CYP1A2CYP2C19KMT2ACA1CA2
SCHEMBL10543159 0.87 CYP1A2 (0.61) CYP1A2CYP2C19KMT2ACA1CA2
SCHEMBL17576127 0.87 CYP1A2 (0.42) CYP1A2CYP2C19KMT2ACA1CA2
SCHEMBL16769809 0.86 CA1 (0.49) CYP1A2CYP2C19KMT2ACA1CA2
SCHEMBL9913709 0.86 CA1 (0.49) CYP1A2CYP2C19KMT2ACA1CA2
SCHEMBL18757549 0.86 CA1 (0.41) CYP1A2CYP2C19KMT2ACA1CA2
SCHEMBL18680447 0.85 TLR8 (0.46) CYP1A2CYP2C19KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016946-A1 DRUG-LOADED MACROMOLECULE AND PREPARATION METHOD THEREFOR SHANGHAI SHENGDI PHARMACEUTICAL CO., LTD. (CN) 2024-01-18 US disclosed
US-8258259-B2 Macromolecular compounds having controlled stoichiometry STARPHARMA PTY LIMITED (AU) 2012-09-04 US disclosed
US-20120063976-A1 METHODS OF REMOVING CARBON DIOXIDE AND SORBENTS FOR SAME BATTELLE ENERGY ALLIANCE, LLC (US) 2012-03-15 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-20240016946-A1 DRUG-LOADED MACROMOLECULE AND PREPARATION METHOD THEREFOR MRPL38, MRPS27, MRPS18A CYP1A2 2683/4885CYP2C19 1749/4885KMT2A 3804/4885
US-20120063976-A1 METHODS OF REMOVING CARBON DIOXIDE AND SORBENTS FOR SAME CHRM2, CHRM1, CHRM3 CYP1A2 2299/4885CYP2C19 2254/4885KMT2A 689/4885

“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.