SCHEMBL30199399

SCHEMBL30199399

CCNc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)nc2[nH]cc(C#N)c12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 9/20 0.59
▸ TTK P33981 5/20 0.56
▸ PTK2 Q05397 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SYK P43405 1/20 0.43

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
SCHEMBL22232834 1.00 LRRK2 (0.59) LRRK2TTKPTK2MAPTKMT2A
SCHEMBL30199168 0.95 LRRK2 (0.59) LRRK2TTKPTK2MAPTKMT2A
SCHEMBL22232929 0.95 LRRK2 (0.59) LRRK2TTKPTK2MAPTKMT2A
SCHEMBL22232895 0.94 LRRK2 (0.55) LRRK2TTKPTK2
SCHEMBL30198632 0.94 LRRK2 (0.55) LRRK2TTKPTK2
SCHEMBL22232892 0.93 TTK (0.55) LRRK2TTKPTK2MAPTKMT2A
SCHEMBL30198874 0.93 TTK (0.55) LRRK2TTKPTK2MAPTKMT2A
SCHEMBL25107243 0.93 TTK (0.54) LRRK2TTKPTK2MAPT
SCHEMBL24059698 0.93 TTK (0.54) LRRK2TTKPTK2MAPTKMT2A
SCHEMBL25107254 0.93 TTK (0.56) LRRK2TTKPTK2MAPT

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 LRRK2 1/4885TTK 109/4885PTK2 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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