SCHEMBL23480585

SCHEMBL23480585

CCc1ncnc2nn(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.40
▸ ADORA1 P30542 5/20 0.35
▸ ADORA2A P29274 5/20 0.35
▸ ADORA3 P0DMS8 3/20 0.33
▸ ADA P00813 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 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
SCHEMBL23386765 0.84 KDR (0.39) KDRADORA1ADORA2AADORA3ADA
SCHEMBL14365195 0.84 KDR (0.36) KDRADORA1ADORA2AADORA3
SCHEMBL25643051 0.74 ADORA1 (0.35) KDRADORA1ADORA2AADORA3
SCHEMBL2077726 0.73 ADORA2A (0.53) KDRADORA1ADORA2AADORA3
SCHEMBL10005844 0.73 KDR (0.57) KDRADORA1ADORA2AADORA3ADA
SCHEMBL23480583 0.73 ADORA2A (0.41) ADORA1ADORA2AADORA3
SCHEMBL23480578 0.71 ADORA2A (0.47) ADORA1ADORA2AADORA3
SCHEMBL23386766 0.70 ADORA1 (0.35) KDRADORA1ADORA2AADORA3
SCHEMBL23480609 0.69 ADORA2A (0.39) ADORA1ADORA2AADORA3
SCHEMBL23386777 0.69 ADORA2A (0.38) ADORA1ADORA2AADORA3

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-11667652-B2 MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-06-06 — — US disclosed
US-20210171543-A1 MCL1 INHIBITORS GILEAD SCIENCES, INC. 2021-06-10 — — 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-20210171543-A1 MCL1 INHIBITORS MCL1, BCL2L1, BCLAF1 KDR 1833/4885ADORA1 4206/4885ADORA2A 3966/4885
US-11667652-B2 MCL1 inhibitors MCL1, BCL2L1, BCLAF1 KDR 1833/4885ADORA1 4206/4885ADORA2A 3966/4885

“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.

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