SCHEMBL21576237

SCHEMBL21576237

CCc1cnn2c1COCC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
DRD4 P21917 3/20 0.34
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
USP1 O94782 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31

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
SCHEMBL25551821 0.82 LRRK2 (0.36) LRRK2USP1
SCHEMBL20755658 0.77 LRRK2 (0.40) LRRK2CCNT1CDK9
SCHEMBL20939214 0.73 LRRK2 (0.38) LRRK2
SCHEMBL19432127 0.73 LRRK2 (0.38) LRRK2
SCHEMBL12526128 0.73 DRD4 (0.43) LRRK2DRD4DRD2DRD3
SCHEMBL22572097 0.72 LRRK2 (0.38) LRRK2CCNT1CDK9USP1
SCHEMBL30430544 0.72 DRD2 (0.42) LRRK2DRD4CCNT1CDK9DRD2
SCHEMBL18883056 0.72 LRRK2 (0.43) LRRK2CCNT1CDK9
SCHEMBL10234967 0.71 DRD4 (0.49) LRRK2DRD4CDK9DRD3
SCHEMBL16676612 0.70 DRD4 (0.35) DRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 LRRK2 303/4885DRD4 4806/4885CCNT1 1559/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 LRRK2 303/4885DRD4 4806/4885CCNT1 1559/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 LRRK2 303/4885DRD4 4806/4885CCNT1 1559/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 LRRK2 303/4885DRD4 4806/4885CCNT1 1559/4885

“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.