SCHEMBL22280240

SCHEMBL22280240

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
SSTR4 P31391 14/20 0.39
KDM5A P29375 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SSTR1 P30872 5/20 0.39
CCR2 P41597 1/20 0.37
CD38 P28907 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
SCHEMBL22280239 0.85 ALDH1A1 (0.54) SIGMAR1KDM5AALDH1A1CD38
SCHEMBL21207665 0.80 CCR2 (0.42) SSTR4KDM5ASSTR1CCR2
SCHEMBL26854744 0.79 SIGMAR1 (0.41) SIGMAR1CD38
SCHEMBL18909746 0.78 CCR2 (0.49) SIGMAR1SSTR4KDM5AALDH1A1SSTR1
SCHEMBL14400436 0.77 EPHX1 (0.48) SSTR4KDM5AALDH1A1SSTR1CCR2
SCHEMBL2053045 0.77 CTSK (0.52)
SCHEMBL2012289 0.75 CD38 (0.38) SIGMAR1CD38
SCHEMBL18909861 0.74 CCR2 (0.50) SIGMAR1ALDH1A1CCR2
SCHEMBL19176862 0.74 ALDH1A1 (0.48) SSTR4KDM5AALDH1A1
SCHEMBL14114344 0.73 PDK1 (0.56) SIGMAR1ALDH1A1CCR2

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 SIGMAR1 4680/4885SSTR4 4568/4885KDM5A 2727/4885
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 SIGMAR1 4680/4885SSTR4 4568/4885KDM5A 2727/4885

“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.