SCHEMBL22287002

SCHEMBL22287002

CC1(NC(=O)O)CCOC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
GABRA1 P14867 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CCNE1 P24864 4/20 0.32
CDK2 P24941 4/20 0.32
GSK3B P49841 4/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
FFAR3 O14843 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL25187762 1.00 LMNA (0.33) LMNAGABRA1ALDH1A1CCNE1CDK2
SCHEMBL25187572 1.00 LMNA (0.33) LMNAGABRA1ALDH1A1CCNE1CDK2
SCHEMBL22310682 0.87 LMNA (0.38) LMNAGABRA1ALDH1A1CYP3A4CYP2C9
SCHEMBL23010377 0.83 ALDH1A1 (0.35) GABRA1ALDH1A1CYP3A4FFAR3
SCHEMBL9991824 0.82
SCHEMBL21427860 0.82 GABRA1 (0.30) GABRA1
SCHEMBL8230855 0.80 CCNE1 (0.35) GABRA1ALDH1A1CCNE1CDK2GSK3B
SCHEMBL21427823 0.79
SCHEMBL21427834 0.77 CCNE1 (0.32) LMNAGABRA1CCNE1CDK2GSK3B
SCHEMBL31024267 0.74 GABRA1 (0.30) GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118265706-A CDK2 inhibitors and methods of making and using the same 缆图药品公司 2024-06-28 CN disclosed
WO-2023092088-A1 CDK2 INHIBITORS AND METHODS OF MAKING AND USING SAME BLUEPRINT MEDICINES CORPORATION (US) 2023-05-25 WO disclosed
WO-2023092107-A1 CDK2 INHIBITORS AND METHODS OF MAKING AND USING SAME BLUEPRINT MEDICINES CORPORATION (US) 2023-05-25 WO disclosed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
US-11014911-B2 CDK2 inhibitors PFIZER INC. (US) 2021-05-25 US disclosed
WO-2020157652-A2 CDK2 INHIBITORS PFIZER INC. (US) 2020-08-06 WO disclosed
US-20200247784-A1 CDK2 INHIBITORS PFIZER INC. (US) 2020-08-06 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 (3 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 LMNA 1383/4885GABRA1 1184/4885ALDH1A1 216/4885
US-20200247784-A1 CDK2 INHIBITORS CDK2, CDK1, CCNI LMNA 1764/4885GABRA1 4673/4885ALDH1A1 2447/4885
US-11014911-B2 CDK2 inhibitors CDK2, CDK1, CCNI LMNA 1764/4885GABRA1 4673/4885ALDH1A1 2447/4885

“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.