SCHEMBL25820392

SCHEMBL25820392

COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnn(CCC#N)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 0.64
MAP3K9 P80192 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
IGF1R P08069 1/20 0.59
KCNH2 Q12809 1/20 0.59

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
SCHEMBL25820396 0.93 LRRK2 (0.66) LRRK2MAP3K9MKNK2IGF1RKCNH2
SCHEMBL25820390 0.92 LRRK2 (0.69) LRRK2MAP3K9MKNK2IGF1RKCNH2
SCHEMBL25820554 0.91 LRRK2 (0.68) LRRK2MAP3K9MKNK2IGF1RKCNH2
SCHEMBL25820400 0.91 LRRK2 (0.68) LRRK2MAP3K9MKNK2IGF1RKCNH2
SCHEMBL25820475 0.91 LRRK2 (0.68) LRRK2MAP3K9MKNK2IGF1RKCNH2
SCHEMBL25820550 0.90 LRRK2 (0.70) LRRK2MAP3K9MKNK2IGF1RKCNH2
SCHEMBL25820433 0.89 LRRK2 (0.69) LRRK2MAP3K9MKNK2IGF1RKCNH2
SCHEMBL28924969 0.88 LRRK2 (0.68) LRRK2MAP3K9MKNK2IGF1RKCNH2
SCHEMBL30082594 0.88 LRRK2 (0.74) LRRK2MAP3K9MKNK2IGF1RKCNH2
SCHEMBL25821301 0.88 LRRK2 (0.74) LRRK2MAP3K9MKNK2IGF1RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115413278-A Novel pyrimidine derivative and composition for preventing or treating neurodegenerative disease and cancer comprising same 丸仁制药株式会社 2022-11-29 CN claimed
US-20240254103-A9 NOVEL PYRIMIDINE DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES AND CANCER, COMPRISING SAME WHAN IN PHARMACEUTICAL CO., LTD. (KR) 2024-08-01 US disclosed
US-20230219930-A1 NOVEL PYRIMIDINE DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES AND CANCER, COMPRISING SAME WHAN IN PHARMACEUTICAL CO., LTD. (KR) 2023-07-13 US disclosed
US-20230219930-A1 NOVEL PYRIMIDINE DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES AND CANCER, COMPRISING SAME WHAN IN PHARMACEUTICAL CO., LTD. (KR) 2023-07-13 US disclosed
CN-115413278-A Novel pyrimidine derivative and composition for preventing or treating neurodegenerative disease and cancer comprising same 丸仁制药株式会社 2022-11-29 CN 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-20240254103-A9 NOVEL PYRIMIDINE DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES AND CANCER, COMPRISING SAME LRRK2, PARK7, SLC29A2 LRRK2 1/4885MAP3K9 1209/4885MKNK2 791/4885
US-20230219930-A1 NOVEL PYRIMIDINE DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES AND CANCER, COMPRISING SAME LRRK2, PARK7, SLC29A2 LRRK2 1/4885MAP3K9 1209/4885MKNK2 791/4885

“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.