SCHEMBL30198920

SCHEMBL30198920

COc1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1nc(NC(C)C)c2c(C#N)c[nH]c2n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.58
▸ LRRK2 Q5S007 6/20 0.51
▸ PTK2 Q05397 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SYK P43405 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL22232921 1.00 TTK (0.58) TTKLRRK2PTK2KMT2ASYK
SCHEMBL22232854 0.94 TTK (0.56) TTKLRRK2PTK2SYK
SCHEMBL30199066 0.94 TTK (0.56) TTKLRRK2PTK2SYK
SCHEMBL25107258 0.93 TTK (0.53) TTKLRRK2PTK2KMT2AMAP4K1
SCHEMBL30199317 0.93 TTK (0.53) TTKLRRK2PTK2KMT2AMAP4K1
SCHEMBL25107242 0.93 TTK (0.53) TTKLRRK2PTK2KMT2AMAP4K1
SCHEMBL30199057 0.93 TTK (0.53) TTKLRRK2PTK2KMT2AMAP4K1
SCHEMBL25107244 0.92 LRRK2 (0.59) TTKLRRK2PTK2MAP4K1ALDH1A1
SCHEMBL30198923 0.92 LRRK2 (0.59) TTKLRRK2PTK2MAP4K1ALDH1A1
SCHEMBL22232892 0.91 TTK (0.55) TTKLRRK2PTK2KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 109/4885LRRK2 1/4885PTK2 92/4885

“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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