SCHEMBL12112265

SCHEMBL12112265

CCCCCCCCCCCCCCn1cnc2c3nc(=O)n(CCCCCCCCCC)c-3ncnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ADORA1 P30542 3/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ADCY5 O95622 2/20 0.39
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TMIGD3 P0DMS9 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL12112263 1.00 ADORA2A (0.49) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL12112262 1.00 ADORA2A (0.49) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL15214199 1.00 ADORA2A (0.49) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL15214197 1.00 ADORA2A (0.49) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL12112261 0.98 ADORA2A (0.52) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL12112260 0.95 ADORA2A (0.54) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL12112259 0.89 ADORA2A (0.54) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL15214188 0.87 ALDH1A1 (0.38) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL15214187 0.87 ALDH1A1 (0.38) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL12113559 0.85 ADORA2A (0.52) ADORA2ACYP1A2TSHRADORA1ADORA2B

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 4578/4885CYP1A2 4168/4885TSHR 4446/4885
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof IKZF3, AADAC, IKBKE ADORA2A 2862/4885CYP1A2 1104/4885TSHR 2845/4885
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 ADORA2A 4578/4885CYP1A2 4168/4885TSHR 4446/4885

“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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