SCHEMBL797685

SCHEMBL797685

CCCn1c(C#N)nc2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)n(COP(=O)(O)O)c2c1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.49
ADORA2A P29274 14/20 0.49
ADORA1 P30542 13/20 0.49
ADORA3 P0DMS8 11/20 0.49
PLK4 O00444 1/20 0.47
CDK2 P24941 1/20 0.47
IRAK1 P51617 1/20 0.47
RPS6KA3 P51812 1/20 0.47
PLK3 Q9H4B4 1/20 0.47
CSNK1G3 Q9Y6M4 1/20 0.47

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
SCHEMBL797844 0.91 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL16418068 0.91 ADORA2B (0.39) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL796598 0.91 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL797839 0.90 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL30891869 0.90 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL10205230 0.90 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL796171 0.89 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL28472578 0.88 ADORA2B (0.50) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15064885 0.88 ADORA2B (0.48) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15064746 0.88 ADORA2B (0.48) 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 15 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-3727391-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER Impetis Biosciences Ltd. (IN) 2020-10-28 EP claimed
CN-111801099-A Pharmaceutical composition for cancer treatment 因佩蒂斯生物科学有限公司 2020-10-20 CN 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-20240307402-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER IMPETIS BIOSCIENCES LTD. (IN) 2024-09-19 US disclosed
CN-118001282-A Pharmaceutical composition for cancer treatment 因佩蒂斯生物科学有限公司 2024-05-10 CN disclosed
EP-3727391-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER Impetis Biosciences Ltd. (IN) 2020-10-28 EP disclosed
CN-111801099-A Pharmaceutical composition for cancer treatment 因佩蒂斯生物科学有限公司 2020-10-20 CN disclosed
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-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
EP-2616470-A1 PURINE COMPOUNDS AS PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS, THEIR PROCESS AND MEDICINAL APPLICATIONS Advinus Therapeutics Limited (IN) 2013-07-24 EP 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
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
WO-2012035548-A1 PURINE COMPOUNDS AS PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS, THEIR PROCESS AND MEDICINAL APPLICATIONS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2012-03-22 WO 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-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
US-20240307402-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 8/4885

“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.