SCHEMBL15064585

SCHEMBL15064585

CCCC(OP(=O)(O)O)n1c(-c2cnn(Cc3cccc(C(F)(F)F)c3)c2)nc2nc[nH]c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 0.43
ADORA2A P29274 13/20 0.43
ADORA1 P30542 12/20 0.43
ADORA3 P0DMS8 11/20 0.43
PLK4 O00444 1/20 0.41
CDK2 P24941 1/20 0.41
IRAK1 P51617 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41
ALK Q9UM73 1/20 0.39
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
KCNH2 Q12809 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL15064464 0.90 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL798904 0.89 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15064377 0.89 ADORA2B (0.44) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15064437 0.88 ADORA2B (0.44) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL797623 0.88 ADORA2B (0.42) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15064526 0.87 ADORA2B (0.32) ADORA2BADORA2AADORA1
SCHEMBL797684 0.86 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL797627 0.86 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15064644 0.85 ADORA2B (0.40) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15064359 0.82 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3PLK4

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
CN-118001282-A Pharmaceutical composition for cancer treatment 因佩蒂斯生物科学有限公司 2024-05-10 CN claimed
EP-2616470-B1 PURINE COMPOUNDS AS PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS, THEIR PROCESS AND MEDICINAL APPLICATIONS ADVINUS THERAPEUTICS LTD (IN) 2016-10-12 EP claimed
US-8940751-B2 Purine compounds as prodrugs of A2B adenosine receptor antagonists, their process and medicinal applications ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-01-27 US claimed
US-20130172249-A1 PURINE COMPOUNDS AS PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS, THEIR PROCESS AND MEDICINAL APPLICATIONS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2013-07-04 US claimed
US-8940751-B2 Purine compounds as prodrugs of A2B adenosine receptor antagonists, their process and medicinal applications ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-01-27 US disclosed
US-20130172249-A1 PURINE COMPOUNDS AS PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS, THEIR PROCESS AND MEDICINAL APPLICATIONS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2013-07-04 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-20130172249-A1 PURINE COMPOUNDS AS PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS, THEIR PROCESS AND MEDICINAL APPLICATIONS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885

“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.