SCHEMBL22280239

SCHEMBL22280239

CC(C)(C)C(=O)NC1CCN(C2COC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.36
CD38 P28907 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
KDM5A P29375 1/20 0.35

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
SCHEMBL22280240 0.85 SIGMAR1 (0.43) ALDH1A1SIGMAR1CD38KDM5A
SCHEMBL2053045 0.81 CTSK (0.52) GAACA1CA2CKS1BSKP1
SCHEMBL2012289 0.80 CD38 (0.38) SIGMAR1CD38
SCHEMBL26854744 0.77 SIGMAR1 (0.41) SIGMAR1CD38DRD2
SCHEMBL12208867 0.77 ALDH1A1 (0.46) ALDH1A1SIGMAR1LMNANPSR1GAA
SCHEMBL12612604 0.75 ALDH1A1 (0.64) ALDH1A1LMNANPSR1GAACA12
SCHEMBL21341627 0.75 LMNA (0.35) SIGMAR1LMNA
SCHEMBL31428692 0.74 TEAD1 (0.45) CD38
SCHEMBL21100016 0.74 ALDH1A1 (0.60) ALDH1A1SIGMAR1LMNANPSR1GAA
SCHEMBL4087474 0.74 ALDH1A1 (0.60) ALDH1A1SIGMAR1LMNANPSR1GAA

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-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-12-28 US disclosed
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-07-30 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-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease LRRK2, WEE1, WEE2 ALDH1A1 2010/4885SIGMAR1 4680/4885LMNA 3760/4885
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE LRRK2, WEE1, WEE2 ALDH1A1 2010/4885SIGMAR1 4680/4885LMNA 3760/4885

“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.