SCHEMBL22232907

SCHEMBL22232907

CC[C@@H](C)Nc1nc(Nc2ccc(S(=O)(=O)N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]cc(C#N)c12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.52
▸ LRRK2 Q5S007 4/20 0.45
▸ ALK Q9UM73 3/20 0.42
▸ DYRK1A Q13627 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DYRK3 O43781 1/20 0.40
▸ CSNK1E P49674 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ PTK2 Q05397 2/20 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
SCHEMBL30198982 1.00 TTK (0.52) TTKLRRK2ALKDYRK1AKMT2A
SCHEMBL22232830 1.00 TTK (0.52) TTKLRRK2ALKDYRK1AKMT2A
SCHEMBL22232831 1.00 TTK (0.52) TTKLRRK2ALKDYRK1AKMT2A
SCHEMBL30198752 1.00 TTK (0.52) TTKLRRK2ALKDYRK1AKMT2A
SCHEMBL25107258 0.95 TTK (0.53) TTKLRRK2KMT2APTK2
SCHEMBL30199317 0.95 TTK (0.53) TTKLRRK2KMT2APTK2
SCHEMBL30199057 0.95 TTK (0.53) TTKLRRK2KMT2APTK2
SCHEMBL25107242 0.95 TTK (0.53) TTKLRRK2KMT2APTK2
SCHEMBL22232854 0.93 TTK (0.56) TTKLRRK2ALKDYRK1APTK2
SCHEMBL30199066 0.93 TTK (0.56) TTKLRRK2ALKDYRK1APTK2

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 109/4885LRRK2 1/4885ALK 2646/4885

“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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