SCHEMBL19921175

SCHEMBL19921175

CN1CCN(c2ccc(-n3ccc4nc(N)nc(Nc5ccccc5S(C)(=O)=O)c43)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.51
▸ JAK3 P52333 9/20 0.51
▸ PTK2 Q05397 9/20 0.51
▸ AXL P30530 1/20 0.43
▸ NEK2 P51955 1/20 0.43
▸ ALK Q9UM73 3/20 0.42
▸ INSR P06213 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ BRD4 O60885 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ ZAP70 P43403 1/20 0.39
▸ FGFR4 P22455 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ JAK1 P23458 1/20 0.37

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
SCHEMBL19921078 0.90 ALK (0.47) JAK2JAK3PTK2AXLNEK2
SCHEMBL19921123 0.90 EGFR (0.47) JAK2JAK3PTK2ALKINSR
SCHEMBL19921065 0.89 PTK2 (0.40) JAK2JAK3PTK2ALKINSR
SCHEMBL19921187 0.87 ALK (0.50) JAK2JAK3PTK2AXLNEK2
SCHEMBL19921091 0.85 PTK2 (0.52) JAK2JAK3PTK2ALKBRD4
SCHEMBL20546889 0.85 JAK2 (0.38) JAK2JAK3PTK2ALK
SCHEMBL20546956 0.83 PTK2 (0.51) JAK2PTK2ALKINSRIGF1R
SCHEMBL19921176 0.82 FLT3 (0.44) PTK2ALKINSRIGF1RCDK4
SCHEMBL19921093 0.81 TTK (0.50) JAK2JAK3PTK2AXLNEK2
SCHEMBL19921204 0.81 ALK (0.60) JAK2JAK3PTK2AXLNEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3290420-B1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF UNIV XIAMEN (CN) 2020-12-09 — — EP claimed
US-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF XIAMEN UNIVERSITY (CN) 2018-11-01 — — US claimed
EP-3290420-A1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Xiamen University (CN) 2018-03-07 — — EP claimed

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-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF TPMT, DHPS, TYMP JAK2 89/4885JAK3 112/4885PTK2 4325/4885

“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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