SCHEMBL12112280

SCHEMBL12112280

CCCC(C)n1cnc2c3nc(=O)n(C(C)C)c-3ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.42
▸ ADORA2B P29275 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ CCNB2 O95067 3/20 0.38
▸ CDK1 P06493 3/20 0.38
▸ CCNB1 P14635 3/20 0.38
▸ CCNB3 Q8WWL7 3/20 0.38
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ ADA P00813 4/20 0.35
▸ PDE2A O00408 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL15214191 0.94 ADORA2A (0.43) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL12112278 0.83 TSHR (0.39) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL21539425 0.72 ADORA2A (0.78) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL23774610 0.72 ADORA2A (0.52) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL22381514 0.70 CYP1A2 (0.55) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL23619296 0.67 HPRT1 (0.46) ADORA2AADORA2BADORA1SLC29A1LMNA
SCHEMBL12112259 0.65 ADORA2A (0.54) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL22381495 0.64 ADORA2A (0.74) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL24026378 0.64 SLC29A1 (0.45) ADORA2AADORA2BADORA1CDK1CCNB1
SCHEMBL12113559 0.64 ADORA2A (0.52) ADORA2AADORA2BADORA1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-03 — — US disclosed
US-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-03 — — US disclosed
US-9322831-B2 DDX3 as a biomarker for cancer and methods related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-26 — — US disclosed
US-9322831-B2 DDX3 as a biomarker for cancer and methods related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-26 — — US disclosed
WO-2014149084-A2 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-25 — — WO disclosed
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY 2013-10-24 — — US disclosed
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY 2013-10-24 — — US disclosed
US-8518901-B2 Fused diimidazodiazepine compounds and methods of use and manufacture thereof THE JOHNS HOPKINS UNIVERSITY (US) 2013-08-27 — — US disclosed
US-8518901-B2 Fused diimidazodiazepine compounds and methods of use and manufacture thereof THE JOHNS HOPKINS UNIVERSITY (US) 2013-08-27 — — US disclosed
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof HOSMANE, RAMACHANDRA S. 2011-11-10 — — 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 (3 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-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 ADORA2A 4578/4885ADORA2B 4349/4885ADORA1 4375/4885
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof IKZF3, AADAC, IKBKE ADORA2A 2862/4885ADORA2B 2714/4885ADORA1 3039/4885
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 ADORA2A 4578/4885ADORA2B 4349/4885ADORA1 4375/4885

“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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