SCHEMBL3296038

SCHEMBL3296038

Nc1c(Cl)nc2c(c1N)CCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.61
MEN1 O00255 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
BPTF Q12830 1/20 0.61
BCHE P06276 10/20 0.50
GRIN1 Q05586 9/20 0.50
GRIN2A Q12879 9/20 0.50
CHRM1 P11229 2/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
ABCC4 O15439 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46

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
SCHEMBL3293093 0.85 ACHE (0.59) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL2708394 0.81 ACHE (0.56) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL20681035 0.79 ACHE (0.95) ACHEMEN1MAPK1KMT2ABPTF
Ipidacrine SCHEMBL28251 0.77 ACHE (1.00) ACHEMEN1MAPK1KMT2ABPTF
Ipidacrine SCHEMBL29382648 0.77 ACHE (1.00) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22021195 0.75 ACHE (0.86) ACHEMEN1MAPK1KMT2ABPTF
Ipidacrine SCHEMBL1032513 0.75 ACHE (0.95) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963334 0.75 MAPK1 (0.48) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL30162181 0.75 ACHE (0.86) ACHEMEN1MAPK1KMT2ABPTF
Ipidacrine SCHEMBL7536973 0.75 ACHE (0.95) ACHEMEN1MAPK1KMT2ABPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US disclosed
US-7732442-B2 Chemokine receptor antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1661889-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP 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-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF CCR5, CCR4, CCR1 ACHE 3271/4885MEN1 3502/4885MAPK1 912/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 ACHE 3271/4885MEN1 3502/4885MAPK1 912/4885

“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.