SCHEMBL25842016

SCHEMBL25842016

Cc1cccc(-c2[nH]cnc2-c2ccc3c(c2)COC3)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.40
MAPK14 Q16539 5/20 0.40
RIPK2 O43353 1/20 0.40
ACVR1B P36896 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MTOR P42345 1/20 0.39
IDO1 P14902 4/20 0.37
CYP2D6 P10635 1/20 0.37
TGFBR2 P37173 1/20 0.37
MAP3K20 Q9NYL2 1/20 0.37
BMPR1A P36894 1/20 0.35
SMAD2 Q15796 1/20 0.35

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
SCHEMBL25259131 0.81 SYK (0.44) TGFBR1MAPK14ACVR1BIDO1
SCHEMBL30139863 0.79 TGFBR1 (0.64) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL25085252 0.79 TGFBR1 (0.40) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL29832164 0.77 TGFBR1 (0.64) TGFBR1MAPK14RIPK2ACVR1BMTOR
SCHEMBL23392209 0.76 TGFBR1 (0.39) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL23408398 0.75 TGFBR1 (0.45) TGFBR1MAPK14MTORIDO1CYP2D6
SCHEMBL5200100 0.75 IDO1 (0.48) TGFBR1MAPK14MTORIDO1CYP2D6
SCHEMBL25842013 0.75 MAPK14 (0.40) TGFBR1MAPK14IDO1TGFBR2
SCHEMBL23392190 0.74 TGFBR1 (0.37) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4488213 0.74 TGFBR1 (0.51) TGFBR1MAPK14RIPK2ACVR1BMTOR

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-20230183220-A1 HETEROCYCLIC COMPOUND AS INHIBITOR OF CASEIN KINASE 1-DELTA AND/OR ACTIVIN RECEPTOR-LIKE KINASE 5 ALCHEMEDICINE, INC. (JP) 2023-06-15 US disclosed
US-20230183220-A1 HETEROCYCLIC COMPOUND AS INHIBITOR OF CASEIN KINASE 1-DELTA AND/OR ACTIVIN RECEPTOR-LIKE KINASE 5 ALCHEMEDICINE, INC. (JP) 2023-06-15 US disclosed
EP-4174061-A1 HETEROCYCLIC COMPOUND AS INHIBITOR FOR CASEIN KINASE 1d AND/OR ACTIVIN RECEPTOR-LIKE KINASE 5 Alchemedicine, Inc. (JP) 2023-05-03 EP disclosed
CN-116034105-A Heterocyclic compounds as inhibitors of casein kinase 1 delta and/or activin receptor-like kinase 5 亚克医药株式会社 2023-04-28 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-20230183220-A1 HETEROCYCLIC COMPOUND AS INHIBITOR OF CASEIN KINASE 1-DELTA AND/OR ACTIVIN RECEPTOR-LIKE KINASE 5 CSNK1A1, CSNK1G1, CSNK1D TGFBR1 109/4885MAPK14 405/4885RIPK2 278/4885

“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.