SCHEMBL30132207

SCHEMBL30132207

COc1cc(-c2nnnn2C)ccc1NC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.53
ACLY P53396 1/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
TTK P33981 2/20 0.46
TACR1 P25103 1/20 0.41
HTT P42858 2/20 0.40
GAK O14976 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PAX8 Q06710 1/20 0.39
PDE4B Q07343 1/20 0.38
POLB P06746 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL15507926 1.00 LRRK2 (0.53) LRRK2ACLYALDH1A1CYP2C9CYP2C19
SCHEMBL15507797 0.82 LRRK2 (0.50) LRRK2TTKHTTGAKSMN1; SMN2
SCHEMBL17056047 0.81 TTK (0.45) LRRK2ALDH1A1KMT2ATTKHTT
SCHEMBL15507920 0.80 TTK (0.45) LRRK2ALDH1A1TTKHTTGAK
SCHEMBL17049267 0.80 LRRK2 (0.53) LRRK2ACLYALDH1A1TTKTACR1
SCHEMBL30132235 0.80 TTK (0.45) LRRK2ALDH1A1TTKHTTGAK
SCHEMBL5193649 0.77 ALDH1A1 (0.53) LRRK2ACLYALDH1A1CYP2C9CYP2C19
SCHEMBL17055911 0.77 LRRK2 (0.53) LRRK2ALDH1A1KMT2ATTKHTT
SCHEMBL17056056 0.77 TTK (0.47) LRRK2ALDH1A1KMT2ATTKHTT
SCHEMBL15507908 0.76 LRRK2 (0.52) LRRK2TTKHTTGAKPAX8

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 513/4885ACLY 1420/4885ALDH1A1 3742/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 LRRK2 513/4885ACLY 1420/4885ALDH1A1 3742/4885

“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.