SCHEMBL563282

SCHEMBL563282

Cc1nc2c(ccc3c2ccc2c(N)ccnc23)c(N)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.41
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
LMNA P02545 1/20 0.35
NCF1 P14598 2/20 0.34
HSP90AA1 P07900 3/20 0.34
HSP90AB1 P08238 2/20 0.34
IDO1 P14902 1/20 0.34
PSMB5 P28074 1/20 0.34
SOS2 Q07890 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
SLC40A1 Q9NP59 1/20 0.33
MAPT P10636 1/20 0.33
NOS3 P29474 3/20 0.32
NOS2 P35228 3/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL4390960 0.80 NR4A2 (0.57) NR4A2CCR1CCR5CCR8NCF1
SCHEMBL1071707 0.73 NR4A2 (0.59) NR4A2CCR1CCR5CCR8NCF1
SCHEMBL438506 0.70 NR4A2 (0.44) NR4A2CCR1CCR5CCR8LMNA
SCHEMBL30913269 0.68 NR4A2 (0.55) NR4A2CCR1CCR5CCR8LMNA
SCHEMBL23546584 0.67 NR4A2 (0.44) NR4A2LMNANCF1HSP90AA1HSP90AB1
SCHEMBL11160796 0.66 NR4A2 (0.61) NR4A2CCR1CCR5CCR8LMNA
SCHEMBL10949867 0.66 NR4A2 (0.44) NR4A2CCR1CCR5CCR8LMNA
SCHEMBL3350818 0.65 CCR1 (0.62) NR4A2CCR1CCR5CCR8LMNA
SCHEMBL7635206 0.63 CCR1 (0.67) CCR1CCR5CCR8HSP90AA1SMN1; SMN2
SCHEMBL28309130 0.63 IRAK4 (0.36) LMNANOS3NOS2NOS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof AMAN MOHAMMAD JAVAD (US) 2012-02-09 US disclosed
US-7999001-B2 Antiviral compounds and methods of using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-08-16 US disclosed
US-20090012107-A1 Antiviral Compounds and Methods of Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-01-08 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-20090012107-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L NR4A2 2686/4885CCR1 2444/4885CCR5 1433/4885
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L NR4A2 2686/4885CCR1 2444/4885CCR5 1433/4885

“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.