SCHEMBL19921084

SCHEMBL19921084

CC(C)Sc1ccccc1Nc1nc(N)nc2ccn(-c3ccc(N4CCC(O)CC4)cc3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ TTK P33981 3/20 0.33
▸ FES P07332 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ ALK Q9UM73 3/20 0.32
▸ INSR P06213 2/20 0.32
▸ IGF1R P08069 2/20 0.32
▸ TNIK Q9UKE5 1/20 0.32
▸ DCLK1 O15075 2/20 0.32
▸ LRRK2 Q5S007 2/20 0.32
▸ STAT6 P42226 1/20 0.31
▸ MAPK7 Q13164 1/20 0.31
▸ PTK2 Q05397 2/20 0.31
▸ GAK O14976 1/20 0.31
▸ INSRR P14616 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ LTK P29376 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ TNK2 Q07912 1/20 0.31

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
SCHEMBL20546960 0.91 KHK (0.35) IRAK4CFTRALKINSRIGF1R
SCHEMBL19921117 0.86 STAT6 (0.35) IRAK4STAT6CDK1
SCHEMBL19921093 0.83 TTK (0.50) IRAK4TTKFESFLT3ALK
SCHEMBL20547119 0.82 EGFR (0.43) ALKLRRK2PTK2
SCHEMBL19921065 0.82 PTK2 (0.40) TTKFESFLT3ALKINSR
SCHEMBL20546237 0.82 ALK (0.49) FESFLT3ALKINSRIGF1R
SCHEMBL19921138 0.81 PLK1 (0.40) ALKINSRIGF1RSTAT6PTK2
SCHEMBL22730040 0.80 IRAK4 (0.42) IRAK4TTKFESFLT3DCLK1
SCHEMBL20546169 0.79 IRAK4 (0.38) IRAK4STAT6SYKMAPTCDK1
SCHEMBL20546935 0.77 NLRP3 (0.42) IRAK4STAT6SYKMAPTCDK1

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 IRAK4 2164/4885TTK 1018/4885FES 815/4885

“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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