SCHEMBL24719482

SCHEMBL24719482

Cn1ccn(-c2ccc(-c3cc(F)cc(-c4ccnc(F)c4)c3O)cc2Cl)c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.42
▸ GRM4 Q14833 2/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.32
▸ PARP11 Q9NR21 1/20 0.32
▸ HSD17B13 Q7Z5P4 1/20 0.32
▸ COMT P21964 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ CSNK1D P48730 2/20 0.31
▸ CSNK1E P49674 2/20 0.31
▸ EPHB4 P54760 1/20 0.30
▸ KMO O15229 1/20 0.30
▸ RPS6KA3 P51812 1/20 0.30

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
SCHEMBL30124212 1.00 CAPN1 (0.42) CAPN1GRM4GRM1PARP10PARP11
SCHEMBL30124431 0.90 CAPN1 (0.40) CAPN1GRM4GRM1PARP10PARP11
SCHEMBL30124869 0.88 ROS1 (0.33) CAPN1GRM4GRM1HSD17B13CSNK1D
SCHEMBL24720126 0.88 ROS1 (0.33) CAPN1GRM4GRM1HSD17B13CSNK1D
SCHEMBL30124439 0.88 CAPN1 (0.37) CAPN1GRM4GRM1PARP10PARP11
SCHEMBL24720559 0.86 KMO (0.37) GRM4GRM1COMTKMO
SCHEMBL24720266 0.85 ROS1 (0.44) CAPN1COMTCSNK1DCSNK1EEPHB4
SCHEMBL24719597 0.85 KMO (0.37) GRM4GRM1COMTKMO
SCHEMBL24720319 0.85 NMT1 (0.39) CSNK1D
SCHEMBL30124605 0.85 ROS1 (0.44) CAPN1COMTCSNK1DCSNK1EEPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025178-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-01-26 — — US disclosed
WO-2022261204-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-15 — — WO 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-20230025178-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA CAPN1 4297/4885GRM4 4722/4885GRM1 4642/4885

“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.

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