SCHEMBL19921064

SCHEMBL19921064

COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(NCc2ccccc2S(C)(=O)=O)c2c(ccn2C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.49
▸ BRD4 O60885 4/20 0.49
▸ BRDT Q58F21 3/20 0.49
▸ MAPK7 Q13164 7/20 0.48
▸ ALK Q9UM73 5/20 0.47
▸ INSR P06213 4/20 0.47
▸ IGF1R P08069 4/20 0.47
▸ DCLK1 O15075 3/20 0.47
▸ DYRK1A Q13627 2/20 0.46
▸ PTK2 Q05397 3/20 0.45
▸ TTK P33981 2/20 0.44
▸ EGFR P00533 3/20 0.43
▸ BMPR1B O00238 2/20 0.43
▸ PLK4 O00444 2/20 0.43
▸ GAK O14976 2/20 0.43
▸ ERN1 O75460 2/20 0.43
▸ STK10 O94804 2/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ LCK P06239 2/20 0.43
▸ FYN P06241 2/20 0.43

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
SCHEMBL19921143 0.88 ALK (0.61) LRRK2MAPK7ALKINSRIGF1R
SCHEMBL19921081 0.84 ALK (0.54) LRRK2MAPK7ALKINSRIGF1R
SCHEMBL20547128 0.82 LRRK2 (0.54) LRRK2BRD4BRDTMAPK7ALK
SCHEMBL19921133 0.82 ALK (0.65) LRRK2MAPK7ALKINSRIGF1R
SCHEMBL19921077 0.80 MAPK7 (0.54) LRRK2BRD4BRDTMAPK7ALK
SCHEMBL19921183 0.77 LRRK2 (0.54) LRRK2BRD4BRDTMAPK7ALK
SCHEMBL19921184 0.77 ALK (0.74) LRRK2MAPK7ALKINSRIGF1R
SCHEMBL19921107 0.77 ALK (0.57) LRRK2MAPK7ALKINSRIGF1R
SCHEMBL21099585 0.76 ALK (0.62) LRRK2MAPK7ALKINSRIGF1R
SCHEMBL19921121 0.75 LRRK2 (0.52) LRRK2BRD4BRDTMAPK7ALK

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 LRRK2 2861/4885BRD4 2933/4885BRDT 2257/4885

“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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