SCHEMBL24804145

SCHEMBL24804145

NCc1ccc(-c2ncnc3[nH]ccc23)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 6/20 0.64
JAK3 P52333 6/20 0.64
BTK Q06187 6/20 0.64
JAK2 O60674 4/20 0.64
AURKA O14965 2/20 0.64
DAPK3 O43293 2/20 0.64
PRKD3 O94806 2/20 0.64
MAP4K4 O95819 2/20 0.64
PAK4 O96013 2/20 0.64
NTRK1 P04629 2/20 0.64
CSF1R P07333 2/20 0.64
RET P07949 2/20 0.64
IGF1R P08069 2/20 0.64
MET P08581 2/20 0.64
PIM1 P11309 2/20 0.64
FGFR1 P11362 2/20 0.64
PRKACA P17612 2/20 0.64
FLT1 P17948 2/20 0.64
LTK P29376 2/20 0.64
GRK5 P34947 2/20 0.64

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
SCHEMBL16793724 0.84 JAK3 (0.67) TYRO3JAK3BTKJAK2AURKA
SCHEMBL18195427 0.84 JAK2 (0.55) TYRO3JAK3BTKJAK2AURKA
SCHEMBL29986767 0.84 JAK3 (0.67) TYRO3JAK3BTKJAK2AURKA
SCHEMBL18197623 0.83 BTK (0.61) TYRO3JAK3BTKJAK2AURKA
SCHEMBL16793578 0.83 BTK (0.61) TYRO3JAK3BTKJAK2AURKA
SCHEMBL24804206 0.82 ENPP1 (0.56) TYRO3JAK3BTKJAK2AURKA
SCHEMBL15662726 0.81 JAK2 (0.80) TYRO3JAK3BTKJAK2AURKA
SCHEMBL16793693 0.81 TBK1 (0.55) TYRO3JAK3BTKJAK2AURKA
SCHEMBL26953407 0.80 CCNK (0.53) TYRO3JAK3JAK2DAPK3PRKD3
SCHEMBL16793627 0.77 JAK2 (0.66) TYRO3JAK3BTKJAK2AURKA

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-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-29 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-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF ENPP1, ENPP3, PPA1 TYRO3 3922/4885JAK3 4097/4885BTK 3831/4885

“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.