SCHEMBL23209079

SCHEMBL23209079

Cn1ccnc1Cn1cc2c(Cl)c(Br)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.45
NR3C1 P04150 3/20 0.33
FDPS P14324 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KAT2B Q92831 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
SCHEMBL23229420 0.80 PTPN11 (0.38) PTPN11NR3C1FDPSALDH1A1POLB
SCHEMBL23208677 0.80 KCNH2 (0.45) PTPN11
SCHEMBL23208765 0.78 PTPN11 (0.41) PTPN11NR3C1
SCHEMBL21631557 0.75 PTPN11 (0.38) PTPN11MEN1KMT2ALMNAALDH1A1
SCHEMBL24879334 0.74 ADORA3 (0.42) LMNAALDH1A1L3MBTL1
SCHEMBL28472917 0.73 FDPS (0.38) NR3C1FDPSMEN1KMT2ALMNA
SCHEMBL21631598 0.72
SCHEMBL21631635 0.72 PTPN11 (0.41) PTPN11
SCHEMBL21631825 0.72 PTPN11 (0.41) PTPN11
SCHEMBL21631652 0.70 PTPN11 (0.36) PTPN11ALDH1A1

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-11466016-B2 Pharmaceutical compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-10-11 US disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 US disclosed
CN-111902415-A Pharmaceutical compounds 大冢制药株式会社 2020-11-06 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 (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-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 PTPN11 326/4885NR3C1 1290/4885FDPS 372/4885
US-11466016-B2 Pharmaceutical compounds MAPT, CYP3A5, SLC5A1 PTPN11 326/4885NR3C1 1290/4885FDPS 372/4885

“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.