SCHEMBL25876107

SCHEMBL25876107

CC(=O)c1cnc(-n2cc(F)cn2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
USP7 Q93009 1/20 0.35
NPC1 O15118 3/20 0.34
POLB P06746 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL25876174 0.72 LDHA (0.36) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL23794788 0.71 HCAR2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25876090 0.70 TDO2 (0.36) TDO2
SCHEMBL17454482 0.68 HDAC3 (0.56) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30402315 0.68 KCNJ1 (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1TDO2
SCHEMBL18789269 0.68 KCNJ1 (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1TDO2
SCHEMBL4548442 0.68 HCAR2 (0.42) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23957644 0.67 KCNJ1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1POLB
SCHEMBL4548443 0.67 CRBN (0.41) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29520978 0.67 KCNJ1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPT

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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 US disclosed
US-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 US 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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 ALDH1A1 1813/4885HDAC3 1265/4885HDAC4 1603/4885

“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.