SCHEMBL25324632

SCHEMBL25324632

Cc1ccnc2c(Br)ccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
CCR8 P51685 3/20 0.50
CCR5 P51681 2/20 0.50
PSMD14 O00487 2/20 0.39
COPS5 Q92905 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NOS2 P35228 4/20 0.38
NOS3 P29474 3/20 0.38
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HSP90AA1 P07900 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL30509484 1.00 CCR1 (0.50) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL18980173 0.86 CCR1 (0.39) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL12203219 0.84 CCR1 (0.65) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL28083103 0.84 KDM4E (0.41) CCR1CCR8CCR5L3MBTL1HSP90AA1
SCHEMBL17275145 0.77 CCR1 (0.46) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL4013888 0.74 HTR1A (0.56) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL516343 0.74 PSMD14 (0.61) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL812697 0.73 CCR1 (0.50) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL30439125 0.73 MAPK1 (0.44) CCR1CCR8CCR5L3MBTL1ADRA1D
SCHEMBL1126077 0.73 MAPK1 (0.44) CCR1CCR8CCR5L3MBTL1ADRA1D

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-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
EP-4214199-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
CN-116490503-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-07-25 CN 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-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 CCR1 2466/4885CCR8 4449/4885CCR5 4010/4885

“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.