SCHEMBL12112233

SCHEMBL12112233

COc1cccc(Cn2c3ncnc4c(ncn4Cc4ccccc4OC)c-3nc2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.46
▸ SLC29A1 Q99808 3/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ CYP1A2 P05177 7/20 0.44
▸ CYP3A4 P08684 7/20 0.44
▸ CYP2C19 P33261 7/20 0.44
▸ CYP2C9 P11712 6/20 0.44
▸ USP2 O75604 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ CYP2D6 P10635 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ ADORA1 P30542 1/20 0.43
▸ TSHR P16473 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ YTHDC1 Q96MU7 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL15214193 0.92 SLC29A1 (0.46) ADORA2ASLC29A1PIK3CDLMNAALDH1A1
SCHEMBL1312875 0.81 HPGD (0.48) ADORA2ASLC29A1PIK3CDUSP2ALDH1A1
SCHEMBL12112236 0.81 PIK3CD (0.47) ADORA2APIK3CDLMNAADORA1TSHR
SCHEMBL16123777 0.80 PIK3CD (0.41) ADORA2APIK3CDLMNAALDH1A1ADORA1
SCHEMBL13394115 0.80 PIK3CD (0.41) ADORA2APIK3CDLMNAALDH1A1ADORA1
SCHEMBL1313539 0.79 HPGD (0.53) ADORA2ASLC29A1USP2ALDH1A1MEN1
SCHEMBL12112237 0.79 PDE4A (0.42) ADORA2APIK3CDLMNAADORA1TSHR
SCHEMBL12112231 0.79 PIK3CD (0.38) ADORA2APIK3CDLMNAADORA1YTHDC1
SCHEMBL12112232 0.79 PIK3CD (0.39) ADORA2APIK3CD
SCHEMBL12112229 0.79 SLC29A1 (0.43) ADORA2ASLC29A1PIK3CDLMNAALDH1A1

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 9 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
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-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 ADORA2A 4578/4885SLC29A1 2701/4885PIK3CD 2000/4885
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof IKZF3, AADAC, IKBKE ADORA2A 2862/4885SLC29A1 3265/4885PIK3CD 2306/4885
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 ADORA2A 4578/4885SLC29A1 2701/4885PIK3CD 2000/4885

“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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