SCHEMBL15214751

SCHEMBL15214751

O=c1nc2c3ncn(Cc4ccc(Br)cc4)c3ncnc-2n1Cc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.51
HDAC6 Q9UBN7 2/20 0.43
ADORA2A P29274 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
HDAC1 Q13547 1/20 0.41
FGFR1 P11362 3/20 0.39
FGFR4 P22455 3/20 0.39
DAPK1 P53355 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
SLC29A1 Q99808 1/20 0.39

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
SCHEMBL12112206 0.96 PDE10A (0.47) PDE10AHDAC6ADORA2API4KAPI4K2B
SCHEMBL12112160 0.89 PDE10A (0.48) PDE10AHDAC6ADORA2API4KAPI4K2B
SCHEMBL16123784 0.89 SLC29A1 (0.46) HDAC6ADORA2API4KAPI4K2BPI4K2A
SCHEMBL13394123 0.88 HDAC6 (0.43) HDAC6ADORA2API4KAPI4K2BPI4K2A
SCHEMBL15214749 0.88 ADORA2A (0.47) PDE10AHDAC6ADORA2API4KAPI4K2B
SCHEMBL13394148 0.88 SLC29A1 (0.47) PDE10AHDAC6ADORA2API4KAPI4K2B
SCHEMBL13394054 0.88 SLC29A1 (0.47) HDAC6ADORA2API4KAPI4K2BPI4K2A
SCHEMBL15214750 0.88 ADORA2A (0.41) PDE10AHDAC6ADORA2API4KAPI4K2B
SCHEMBL13394062 0.86 PDE10A (0.52) PDE10AADORA2API4KAPI4K2BPI4K2A
SCHEMBL15214760 0.85 SLC29A1 (0.40) PDE10AHDAC6ADORA2API4KAPI4K2B

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PDE10A 3839/4885HDAC6 2532/4885ADORA2A 4578/4885
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 PDE10A 3839/4885HDAC6 2532/4885ADORA2A 4578/4885

“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.