SCHEMBL19921137

SCHEMBL19921137

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2SC)c2c(ccn2C)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.62
▸ INSR P06213 17/20 0.62
▸ IGF1R P08069 17/20 0.62
▸ EGFR P00533 4/20 0.56
▸ CHEK1 O14757 2/20 0.56
▸ AURKA O14965 2/20 0.56
▸ NUAK1 O60285 2/20 0.56
▸ JAK2 O60674 2/20 0.56
▸ STK10 O94804 2/20 0.56
▸ PRKD3 O94806 2/20 0.56
▸ CHEK2 O96017 2/20 0.56
▸ ABL1 P00519 2/20 0.56
▸ ERBB2 P04626 2/20 0.56
▸ LCK P06239 2/20 0.56
▸ FYN P06241 2/20 0.56
▸ FES P07332 2/20 0.56
▸ CSF1R P07333 2/20 0.56
▸ YES1 P07947 2/20 0.56
▸ LYN P07948 2/20 0.56
▸ RET P07949 2/20 0.56

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
SCHEMBL19921100 0.94 ALK (0.52) ALKINSRIGF1REGFRJAK2
SCHEMBL19921194 0.93 ALK (0.59) ALKINSRIGF1REGFRCHEK1
SCHEMBL19921184 0.88 ALK (0.74) ALKINSRIGF1REGFRCHEK1
SCHEMBL19921155 0.87 EGFR (0.74) ALKINSRIGF1REGFRCHEK1
SCHEMBL19921168 0.87 ALK (0.65) ALKINSRIGF1REGFRCHEK1
SCHEMBL19921149 0.87 ALK (0.76) ALKINSRIGF1REGFRCHEK1
SCHEMBL21099421 0.87 ALK (0.63) ALKINSRIGF1REGFRCHEK1
SCHEMBL19921199 0.86 ALK (0.49) ALKINSRIGF1REGFRCHEK1
SCHEMBL19921104 0.85 ALK (0.78) ALKINSRIGF1REGFRCHEK1
SCHEMBL19921198 0.83 ALK (0.51) ALKINSRIGF1REGFRJAK2

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 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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