SCHEMBL20546237

SCHEMBL20546237

CP(C)(=O)c1ccccc1Nc1nc(N)nc2ccn(-c3ccc(N4CCC(O)CC4)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.49
▸ INSR P06213 13/20 0.49
▸ IGF1R P08069 13/20 0.49
▸ PTK2 Q05397 5/20 0.42
▸ AURKA O14965 2/20 0.40
▸ ROS1 P08922 2/20 0.40
▸ EML4 Q9HC35 2/20 0.40
▸ EGFR P00533 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ NUAK1 O60285 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ STK10 O94804 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ SLC34A2 O95436 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ CD74 P04233 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38

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
SCHEMBL20546956 0.88 PTK2 (0.51) ALKINSRIGF1RPTK2AURKA
SCHEMBL20547119 0.85 EGFR (0.43) ALKPTK2ROS1EGFRJAK2
SCHEMBL19921065 0.85 PTK2 (0.40) ALKINSRIGF1RPTK2JAK2
SCHEMBL20546960 0.85 KHK (0.35) ALKINSRIGF1RLRRK2
SCHEMBL19921138 0.83 PLK1 (0.40) ALKINSRIGF1RPTK2EGFR
SCHEMBL19921093 0.82 TTK (0.50) ALKINSRIGF1RPTK2AURKA
SCHEMBL19921084 0.82 IRAK4 (0.34) ALKINSRIGF1RPTK2FES
SCHEMBL20546169 0.80 IRAK4 (0.38) JAK2ABL1LCKKITSRC
SCHEMBL19921085 0.79 PTK2 (0.56) ALKINSRIGF1RPTK2EGFR
SCHEMBL20546935 0.78 NLRP3 (0.42) JAK2

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
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

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 ALK 1505/4885INSR 3191/4885IGF1R 4466/4885

“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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