SCHEMBL25876334

SCHEMBL25876334

COC1(C(=O)O)CCC(c2nc(Nc3cc(C)[nH]n3)c3ncn(C)c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
RET P07949 11/20 0.44
KIF5B P33176 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
CCDC6 Q16204 1/20 0.44
SYK P43405 1/20 0.35
PAK4 O96013 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
ADORA1 P30542 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 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
SCHEMBL25876326 0.85 RET (0.44) JAK2RETKIF5BKDRFLT3
SCHEMBL25875746 0.83 RET (0.46) JAK2RETKIF5BKDRFLT3
SCHEMBL29267486 0.81 RET (0.56) JAK2RETKIF5BKDRFLT3
SCHEMBL25876126 0.81 PLK4 (0.46) JAK2RETKIF5BKDRFLT3
Ammonia Solution, Strong SCHEMBL29267484 0.80 RET (0.55) JAK2RETKIF5BKDRFLT3
SCHEMBL25876236 0.80 RET (0.45) JAK2RETKIF5BKDRFLT3
SCHEMBL25876287 0.80 RET (0.43) JAK2JAK1TYK2JAK3RET
SCHEMBL25875934 0.79 RET (0.44) JAK2JAK1TYK2JAK3RET
SCHEMBL25876038 0.79 RET (0.43) JAK2RETKIF5BKDRFLT3
SCHEMBL24668011 0.79 AURKA (0.53) JAK2JAK1TYK2JAK3CYP1A2

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 JAK2 38/4885JAK1 158/4885TYK2 882/4885

“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.