SCHEMBL25323601

SCHEMBL25323601

Fc1ccc(-c2nn(CC3COC3)cc2Br)nc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALDH1A3 P47895 2/20 0.34
GRIA2 P42262 1/20 0.34
HCRTR1 O43613 10/20 0.33
HCRTR2 O43614 10/20 0.33
SLC34A1 Q06495 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
NTRK1 P04629 1/20 0.32
CSNK1D P48730 1/20 0.31
THRB P10828 1/20 0.31
TGFBR1 P36897 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL25326442 0.79 SIGMAR1 (0.35) GRIA2SIGMAR1CSNK1DTHRBTGFBR1
SCHEMBL25321487 0.78 NPC1 (0.41) ALDH1A1SLC34A1CSNK1DTGFBR1MAPK14
SCHEMBL25324809 0.77 CSNK1D (0.39) SLC34A1CSNK1DTHRBTGFBR1MAPK14
SCHEMBL25323896 0.76 CSNK1D (0.35) CSNK1DTGFBR1MAPK14
SCHEMBL25323924 0.74 S1PR1 (0.36) HCRTR1HCRTR2CSNK1DTGFBR1MAPK14
SCHEMBL30509533 0.72 SIGMAR1 (0.41) SIGMAR1NTRK1CSNK1DTGFBR1MAPK14
SCHEMBL26661574 0.72 SIGMAR1 (0.41) SIGMAR1NTRK1CSNK1DTGFBR1MAPK14
SCHEMBL25321143 0.72 CSNK1D (0.41) ALDH1A2ALDH1A1ALDH1A3SLC34A1CSNK1D
SCHEMBL30509325 0.72 CSNK1D (0.41) ALDH1A2ALDH1A1ALDH1A3SLC34A1CSNK1D
SCHEMBL25324060 0.71 MAPK14 (0.36) SIGMAR1CSNK1DTHRBTGFBR1MAPK14

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
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
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 ALDH1A2 2412/4885ALDH1A1 1600/4885ALDH1A3 2523/4885

“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.