SCHEMBL12112261

SCHEMBL12112261

CCCCCn1c2ncnc3c(ncn3CCCC)c-2nc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.52
▸ TSHR P16473 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ ADORA1 P30542 4/20 0.45
▸ ADORA2B P29275 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL15214197 0.98 ADORA2A (0.49) ADORA2ATSHRCYP1A2ADORA1ADORA2B
SCHEMBL12112263 0.98 ADORA2A (0.49) ADORA2ATSHRCYP1A2ADORA1ADORA2B
SCHEMBL12112265 0.98 ADORA2A (0.49) ADORA2ATSHRCYP1A2ADORA1ADORA2B
SCHEMBL15214199 0.98 ADORA2A (0.49) ADORA2ATSHRCYP1A2ADORA1ADORA2B
SCHEMBL12112262 0.98 ADORA2A (0.49) ADORA2ATSHRCYP1A2ADORA1ADORA2B
SCHEMBL12112260 0.98 ADORA2A (0.54) ADORA2ATSHRCYP1A2ADORA1ADORA2B
SCHEMBL12112259 0.89 ADORA2A (0.54) ADORA2ATSHRCYP1A2ADORA1ADORA2B
SCHEMBL12113559 0.85 ADORA2A (0.52) ADORA2ATSHRCYP1A2ADORA1ADORA2B
SCHEMBL15214188 0.85 ALDH1A1 (0.38) ADORA2ATSHRCYP1A2ADORA1ADORA2B
SCHEMBL15214187 0.85 ALDH1A1 (0.38) ADORA2ATSHRCYP1A2ADORA1ADORA2B

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 5 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-9322831-B2 DDX3 as a biomarker for cancer and methods related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-26 — — 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-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 4578/4885TSHR 4446/4885CYP1A2 4168/4885
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof IKZF3, AADAC, IKBKE ADORA2A 2862/4885TSHR 2845/4885CYP1A2 1104/4885
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 ADORA2A 4578/4885TSHR 4446/4885CYP1A2 4168/4885

“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.

Send feedback