SCHEMBL3703291

SCHEMBL3703291

COc1cc(OC)c(C2=CCNCC2)c(O)c1C(=O)/C=C/c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.52
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL744745 0.90 CXCL12 (0.49) ABCB1MAPTNPSR1ABCG2
SCHEMBL7033020 0.90 MAPT (0.61) ABCB1MAPTNPSR1
SCHEMBL764043 0.90 MAPT (0.61) ABCB1MAPTNPSR1
SCHEMBL746535 0.90 ABCB1 (0.52) ABCB1MAPTNPSR1ABCG2
SCHEMBL744504 0.90 ABCG2 (0.57) ABCB1MAPTNPSR1ABCG2
SCHEMBL743874 0.89 ABCB1 (0.57) ABCB1MAPTNPSR1ABCG2
SCHEMBL748316 0.86 NFKB1 (0.52) ABCB1MAPTNPSR1ABCG2
SCHEMBL743365 0.85 TXNRD1 (0.60) ABCB1MAPTNPSR1
SCHEMBL749682 0.85 TDP1 (0.56) ABCB1MAPTNPSR1ABCG2
SCHEMBL744994 0.85 MAPT (0.49) ABCB1MAPTNPSR1ABCG2

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
EP-2429292-B1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER GEORGIA STATE UNIV RESEARCH FOUNDATION (US) 2019-04-03 EP claimed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER CDK6, CDK5, CDK4 ABCB1 2307/4885MAPT 3525/4885NPSR1 4569/4885

“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.