SCHEMBL30077014

SCHEMBL30077014

O=C(Nc1ccncc1)c1cccc(Cl)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.61
TYK2 P29597 7/20 0.61
JAK1 P23458 4/20 0.61
CYP3A4 P08684 1/20 0.61
POLB P06746 1/20 0.59
KMT2A Q03164 4/20 0.54
NT5E P21589 1/20 0.54
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
NOD2 Q9HC29 1/20 0.53
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
MEN1 O00255 3/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL3831832 1.00 JAK2 (0.61) JAK2TYK2JAK1CYP3A4POLB
SCHEMBL15575804 0.86 POLB (0.79) POLBKMT2AKDM4EL3MBTL1HTT
SCHEMBL12468912 0.82 POLB (0.57) JAK2TYK2JAK1CYP3A4POLB
SCHEMBL3158213 0.82 MAPT (0.67) POLBKMT2AKDM4EL3MBTL1MEN1
SCHEMBL1000609 0.80 NPC1 (0.59) CYP3A4POLBKMT2AKDM4EL3MBTL1
SCHEMBL15347114 0.79 SMARCA2 (0.59) JAK2TYK2JAK1POLB
SCHEMBL30076954 0.79 SMARCA2 (0.59) JAK2TYK2JAK1POLB
SCHEMBL30077159 0.78 POLB (0.51) CYP3A4POLBKMT2AKDM4EL3MBTL1
SCHEMBL15347281 0.78 POLB (0.51) CYP3A4POLBKMT2AKDM4EL3MBTL1
SCHEMBL12469044 0.77 NPC1 (0.64) JAK2TYK2KDM4EL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 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-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 JAK2 617/4885TYK2 1534/4885JAK1 3400/4885

“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.