SCHEMBL22572097

SCHEMBL22572097

CC(C)c1cnn2c1COCC2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
USP1 O94782 1/20 0.38
MAPT P10636 1/20 0.33
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 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
SCHEMBL23762887 0.90 USP1 (0.33) LRRK2USP1
SCHEMBL30431977 0.78 LRRK2 (0.33) LRRK2
SCHEMBL20755658 0.77 LRRK2 (0.40) LRRK2CCNT1CDK9
SCHEMBL20939214 0.77 LRRK2 (0.38) LRRK2MAPT
SCHEMBL25551821 0.76 LRRK2 (0.36) LRRK2USP1
SCHEMBL18338423 0.73 LRRK2 (0.38) LRRK2
SCHEMBL14701579 0.73 CYP11B1 (0.41) LRRK2
SCHEMBL19432127 0.73 LRRK2 (0.38) LRRK2
SCHEMBL21576237 0.72 LRRK2 (0.38) LRRK2USP1CCNT1CDK9
SCHEMBL25951160 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 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 (4 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-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 LRRK2 303/4885USP1 715/4885MAPT 3361/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 LRRK2 303/4885USP1 715/4885MAPT 3361/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 LRRK2 303/4885USP1 715/4885MAPT 3361/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 LRRK2 303/4885USP1 715/4885MAPT 3361/4885

“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.