SCHEMBL29629574

SCHEMBL29629574

NC(=O)c1ccnn1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.41
MAPK8 P45983 2/20 0.41
AURKA O14965 1/20 0.41
JAK2 O60674 1/20 0.41
NTRK1 P04629 1/20 0.41
RET P07949 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
MAP2K1 Q02750 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKAA1 Q13131 1/20 0.41

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
SCHEMBL6663757 0.85 DAO (0.41) PIM1POLBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL6663759 0.75 HCAR2 (0.38) PIM1HCAR2ALDH1A1SMN1; SMN2NPC1
SCHEMBL27134892 0.74 CCNC (0.42) MAPK8KDRMAPK9POLBKDM4E
SCHEMBL3168308 0.74 POLB (0.53) KDRMAPK14POLBALDH1A1KDM4E
SCHEMBL14334137 0.73 FLT3 (0.48) PIM1PRKACAFLT3CDK5CLK4
SCHEMBL1906407 0.72 LMNA (0.39) FGFR1POLBALDH1A1SMN1; SMN2NPC1
SCHEMBL5753871 0.71 LMNA (0.36) POLBHCAR2PIK3CDPIK3CAPIK3CB
SCHEMBL28792402 0.70 CA12 (0.42) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6525481 0.70 NPC1 (0.46) CSNK1A1MAP2K1CLK4DYRK1BALDH1A1
SCHEMBL2427927 0.70 SMN1; SMN2 (0.40) SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-06-02 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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BTK, LYN, LCK PIM1 232/4885MAPK8 339/4885AURKA 1229/4885

“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.