SCHEMBL30132201

SCHEMBL30132201

COc1cc(-c2cn(C)nc2C)ccc1NC=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.51
▸ TTK P33981 5/20 0.50
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ PAX8 Q06710 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAK O14976 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL30132200 1.00 LRRK2 (0.51) LRRK2TTKCCNA2CDK2PAX8
SCHEMBL15507770 1.00 LRRK2 (0.51) LRRK2TTKCCNA2CDK2PAX8
SCHEMBL26414623 0.78 LRRK2 (0.47) LRRK2TTKCCNA2CDK2ALDH1A1
SCHEMBL18300032 0.78 TTK (0.43) TTKPAX8KMT2AGAKUSP30
SCHEMBL15507908 0.78 LRRK2 (0.52) LRRK2TTKCCNA2CDK2PAX8
SCHEMBL15507998 0.77 ERN1 (0.53) LRRK2TTKCCNA2CDK2USP30
SCHEMBL12492749 0.76 ALDH1A1 (0.54) LRRK2TTKCCNA2CDK2ALDH1A1
SCHEMBL16910979 0.76 LRRK2 (0.45) LRRK2TTKCCNA2CDK2ALDH1A1
SCHEMBL15507764 0.75 TTK (0.46) LRRK2TTKCDK2ALDH1A1MEN1
SCHEMBL17056047 0.74 TTK (0.45) LRRK2TTKCCNA2CDK2PAX8

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
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 — — US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 — — 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 (2 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-20220402912-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 LRRK2 513/4885TTK 30/4885CCNA2 193/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 LRRK2 513/4885TTK 30/4885CCNA2 193/4885

“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.

Send feedback