SCHEMBL24804945

SCHEMBL24804945

NCc1cccc(-c2ncnc3[nH]ccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.63
▸ JAK3 P52333 7/20 0.56
▸ MELK Q14680 2/20 0.56
▸ CDK8 P49336 2/20 0.56
▸ MERTK Q12866 5/20 0.55
▸ JAK1 P23458 1/20 0.53
▸ TYRO3 Q06418 9/20 0.52
▸ RPS6KA3 P51812 3/20 0.52
▸ AURKA O14965 2/20 0.52
▸ DAPK3 O43293 2/20 0.52
▸ PRKD3 O94806 2/20 0.52
▸ MAP4K4 O95819 2/20 0.52
▸ PAK4 O96013 2/20 0.52
▸ NTRK1 P04629 2/20 0.52
▸ CSF1R P07333 2/20 0.52
▸ RET P07949 2/20 0.52
▸ IGF1R P08069 2/20 0.52
▸ MET P08581 2/20 0.52
▸ PIM1 P11309 2/20 0.52
▸ FGFR1 P11362 2/20 0.52

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
SCHEMBL16793627 0.85 JAK2 (0.66) JAK2JAK3MELKCDK8MERTK
SCHEMBL24805243 0.81 ENPP1 (0.54) JAK2JAK3MELKCDK8MERTK
SCHEMBL13885161 0.81 JAK2 (0.69) JAK2JAK3MELKCDK8MERTK
SCHEMBL4582666 0.79 JAK2 (0.67) JAK2JAK3MELKCDK8MERTK
SCHEMBL15661937 0.79 JAK2 (0.67) JAK2JAK3MELKCDK8MERTK
SCHEMBL4582660 0.79 JAK2 (0.67) JAK2JAK3MELKCDK8MERTK
SCHEMBL4791235 0.79 NUDT1 (0.64) JAK2JAK3CDK8TYRO3RPS6KA3
SCHEMBL4006751 0.78 JAK2 (1.00) JAK2JAK3MELKCDK8MERTK
SCHEMBL2558942 0.76 JAK3 (0.63) JAK2JAK3MELKCDK8MERTK
SCHEMBL27947529 0.76 JAK2 (0.61) JAK2JAK3MELKCDK8MERTK

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 JAK2 3603/4885JAK3 4097/4885MELK 2295/4885

“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.

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