SCHEMBL22232913

SCHEMBL22232913

COc1cc(S(C)(=O)=O)ccc1Nc1nc(NC2CC2)c2c(C#N)c[nH]c2n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 7/20 0.62
CLK1 P49759 2/20 0.47
CLK2 P49760 2/20 0.47
LRRK2 Q5S007 4/20 0.46
CHUK O15111 4/20 0.45
IKBKB O14920 1/20 0.41
TOP2B Q02880 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
JAK3 P52333 2/20 0.39
BTK Q06187 2/20 0.39
PIK3CB P42338 1/20 0.39
MAPK8 P45983 1/20 0.39
PTK2 Q05397 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
SCHEMBL30199020 1.00 TTK (0.62) TTKCLK1CLK2LRRK2CHUK
SCHEMBL22234195 0.97 TTK (0.65) TTKCLK1CLK2LRRK2CHUK
SCHEMBL22233302 0.97 TTK (0.67) TTKCLK1CLK2LRRK2CHUK
SCHEMBL30199272 0.97 TTK (0.67) TTKCLK1CLK2LRRK2CHUK
SCHEMBL30199108 0.97 TTK (0.65) TTKCLK1CLK2LRRK2CHUK
SCHEMBL22232835 0.96 TTK (0.68) TTKCLK1CLK2LRRK2CHUK
SCHEMBL30198875 0.96 TTK (0.68) TTKCLK1CLK2LRRK2CHUK
SCHEMBL25107268 0.94 TTK (0.65) TTKCLK1CLK2LRRK2CHUK
SCHEMBL30199146 0.94 TTK (0.65) TTKCLK1CLK2LRRK2CHUK
SCHEMBL22234538 0.91 TTK (0.59) TTKCLK1CLK2LRRK2CHUK

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
WO-2020149723-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 보로노이 2020-07-23 WO claimed
US-20230066011-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO CO., LTD. (KR) 2023-03-02 US disclosed

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-20230066011-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT LRRK2, BRCA1, PARK7 TTK 109/4885CLK1 266/4885CLK2 118/4885

“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.