SCHEMBL20547132

SCHEMBL20547132

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N)nc2ccn(-c3ccc(N4CCC(O)CC4)nc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.47
▸ CDK9 P50750 9/20 0.47
▸ TTK P33981 4/20 0.46
▸ FES P07332 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ PTK2 Q05397 5/20 0.44
▸ ALK Q9UM73 4/20 0.42
▸ GAK O14976 2/20 0.42
▸ INSR P06213 2/20 0.42
▸ IGF1R P08069 2/20 0.42
▸ INSRR P14616 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ LTK P29376 2/20 0.42
▸ CLK1 P49759 2/20 0.42
▸ TNK2 Q07912 2/20 0.42
▸ TNK1 Q13470 2/20 0.42
▸ PTK2B Q14289 2/20 0.42
▸ ZAP70 P43403 2/20 0.41
▸ BMPR1B O00238 1/20 0.39
▸ PLK4 O00444 1/20 0.39

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
SCHEMBL19921093 0.91 TTK (0.50) CDK7CDK9TTKFESFLT3
SCHEMBL20546874 0.89 TTK (0.43) CDK7CDK9TTKPTK2ALK
SCHEMBL20546166 0.83 NPC1 (0.40) PTK2ALKINSRIGF1REGFR
SCHEMBL19921065 0.82 PTK2 (0.40) CDK7CDK9TTKFESFLT3
SCHEMBL19921078 0.80 ALK (0.47) CDK7CDK9TTKFESFLT3
SCHEMBL19921189 0.78 TTK (0.39) CDK7CDK9TTKFESFLT3
SCHEMBL20546930 0.78 CDK7 (0.39) CDK7CDK9TTKPTK2ALK
SCHEMBL20547119 0.77 EGFR (0.43) PTK2ALKJAK2EGFRROS1
SCHEMBL19921173 0.76 ALK (0.38) CDK7CDK9ALKZAP70EGFR
SCHEMBL20546931 0.75 ALK (0.48) PTK2ALKMET

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 CDK7 437/4885CDK9 639/4885TTK 1018/4885

“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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