SCHEMBL21029948

SCHEMBL21029948

CCCc1nc(Cl)nc2ccsc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.46
ADORA1 P30542 7/20 0.46
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL14115005 0.86 ADORA2A (0.49) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL27725801 0.83 ADORA2A (0.46) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL6859886 0.75 PDE4A (0.50) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL31462939 0.74 ADORA2A (0.58) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL55563 0.74 ADORA2A (0.58) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL1993273 0.73 ADORA2A (0.43) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL11319172 0.73 PDE7A (0.49) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL2920729 0.73 ADORA2A (0.43) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL28900166 0.73 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL61922 0.73 ADORA2A (0.53) ADORA2AADORA1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190160071-A1 THIENO- AND PYRROLOPYRIMIDINE ANALOGUES AND PRODRUGS THEREOF AS ANTICANCER AGENTS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2019-05-30 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 (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-20190160071-A1 THIENO- AND PYRROLOPYRIMIDINE ANALOGUES AND PRODRUGS THEREOF AS ANTICANCER AGENTS AND METHODS OF USE THEREOF TYMP, TK1, TYMS ADORA2A 2273/4885ADORA1 3318/4885TUBB4A 1600/4885

“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.