SCHEMBL12112236

SCHEMBL12112236

Cc1cccc(Cn2c3ncnc4c(ncn4Cc4ccccc4C)c-3nc2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 13/20 0.47
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 0.40

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
SCHEMBL16123777 0.91 PIK3CD (0.41) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL13394115 0.91 PIK3CD (0.41) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL12112237 0.90 PDE4A (0.42) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL15214193 0.89 SLC29A1 (0.46) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL12112243 0.89 PIK3CD (0.40) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL15214178 0.89 PIK3CD (0.40) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL12112232 0.82 PIK3CD (0.39) PIK3CDADORA2A
SCHEMBL12112250 0.82 PIK3CD (0.37) PIK3CDADORA2A
SCHEMBL12112229 0.82 SLC29A1 (0.43) PIK3CDADORA2AHPGDLMNA
SCHEMBL12112249 0.82 SLC29A1 (0.43) PIK3CDADORA2AADORA1

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 PIK3CD 2000/4885ADORA2A 4578/4885ADORA1 4375/4885
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof IKZF3, AADAC, IKBKE PIK3CD 2306/4885ADORA2A 2862/4885ADORA1 3039/4885
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 PIK3CD 2000/4885ADORA2A 4578/4885ADORA1 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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