SCHEMBL19921093

SCHEMBL19921093

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.50
▸ FES P07332 2/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ PTK2 Q05397 4/20 0.48
▸ ALK Q9UM73 9/20 0.47
▸ GAK O14976 2/20 0.47
▸ INSR P06213 2/20 0.47
▸ IGF1R P08069 2/20 0.47
▸ INSRR P14616 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ LTK P29376 2/20 0.47
▸ CLK1 P49759 2/20 0.47
▸ TNK2 Q07912 2/20 0.47
▸ TNK1 Q13470 2/20 0.47
▸ PTK2B Q14289 2/20 0.47
▸ CDK7 P50613 5/20 0.47
▸ CDK9 P50750 4/20 0.47
▸ ZAP70 P43403 2/20 0.42
▸ BMPR1B O00238 1/20 0.40
▸ PLK4 O00444 1/20 0.40

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
SCHEMBL19921065 0.91 PTK2 (0.40) TTKFESFLT3PTK2ALK
SCHEMBL20547132 0.91 CDK7 (0.47) TTKFESFLT3PTK2ALK
SCHEMBL19921078 0.89 ALK (0.47) TTKFESFLT3PTK2ALK
SCHEMBL19921189 0.87 TTK (0.39) TTKFESFLT3PTK2ALK
SCHEMBL20547119 0.86 EGFR (0.43) PTK2ALKJAK2EGFRROS1
SCHEMBL20546930 0.83 CDK7 (0.39) TTKPTK2ALKCDK7CDK9
SCHEMBL19921084 0.83 IRAK4 (0.34) TTKFESFLT3PTK2ALK
SCHEMBL20546960 0.83 KHK (0.35) ALKINSRIGF1RDCLK1LRRK2
SCHEMBL20546237 0.82 ALK (0.49) FESFLT3PTK2ALKINSR
SCHEMBL19921138 0.81 PLK1 (0.40) PTK2ALKINSRIGF1RMAPK1

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 TTK 1018/4885FES 815/4885FLT3 205/4885

“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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