SCHEMBL12112278

SCHEMBL12112278

CCCC(C)n1cnc2c3nc(=O)n(C(C)C(=O)c4ccccc4)c-3ncnc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.35
▸ CDK1 P06493 3/20 0.35
▸ CCNB2 O95067 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNB3 Q8WWL7 2/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PIK3CD O00329 3/20 0.34
▸ CDK5 Q00535 1/20 0.33

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 0.84 ADORA2A (0.43) TSHRSLC29A1CDK1CCNB2CCNB1
SCHEMBL12112280 0.83 ADORA2A (0.42) TSHRSLC29A1CDK1CCNB2CCNB1
SCHEMBL23774610 0.66 ADORA2A (0.52) TSHRCDK1CCNB2CCNB1CCNB3
SCHEMBL21539425 0.64 ADORA2A (0.78) TSHRADORA2AADORA2BADORA1
SCHEMBL22381514 0.62 CYP1A2 (0.55) TSHRSLC29A1CDK1CCNB2CCNB1
SCHEMBL22571176 0.60 CCNB2 (0.46) TSHRCDK1CCNB2CCNB1CCNB3
SCHEMBL23619296 0.60 HPRT1 (0.46) SLC29A1ADORA2AADORA2BADORA1
SCHEMBL5961845 0.59 EGFR (0.55) ADORA2AADORA2BADORA1PIK3CD
SCHEMBL21316709 0.58 CDK1 (0.81) TSHRCDK1CCNB2CCNB1CCNB3
SCHEMBL22381495 0.57 ADORA2A (0.74) TSHRADORA2AADORA2BADORA1

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 11 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
WO-2010039187-A2 FUSED DIIMIDAZODIAZEPINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2010-04-08 — — 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 (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 TSHR 4446/4885SLC29A1 2701/4885CDK1 1977/4885
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof IKZF3, AADAC, IKBKE TSHR 2845/4885SLC29A1 3265/4885CDK1 3166/4885
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 TSHR 4446/4885SLC29A1 2701/4885CDK1 1977/4885

“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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